![2-{4-nitrophenyl}-5-methyl-4-[N-(3-pyridinylmethyl)ethanimidoyl]-1,2-dihydro-3H-pyrazol-3-one structure](/static/products/3545/354543-05-8.webp)
2-{4-nitrophenyl}-5-methyl-4-[N-(3-pyridinylmethyl)ethanimidoyl]-1,2-dihydro-3H-pyrazol-3-one
TL;DR: 2-{4-nitrophenyl}-5-methyl-4-[N-(3-pyridinylmethyl)ethanimidoyl]-1,2-dihydro-3H-pyrazol-3-one (CAS 354543-05-8) is a chemical compound with molecular formula C18H17N5O3 and molecular weight 351.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-[C-methyl-N-(pyridin-3-ylmethyl)carbonimidoyl]-2-(4-nitrophenyl)-1H-pyrazol-3-one
Also Known As: 2-{4-nitrophenyl}-5-methyl-4-[N-(3-pyridinylmethyl)ethanimidoyl]-1,2-dihydro-3H-pyrazol-3-one, A0895/0042037, 5-methyl-4-[C-methyl-N-(pyridin-3-ylmethyl)carbonimidoyl]-2-(4-nitrophenyl)-1H-pyrazol-3-one, (4E)-5-methyl-2-(4-nitrophenyl)-4-{1-[(pyridin-3-ylmethyl)amino]ethylidene}-2,4-dihydro-3H-pyrazol-3-one, (4E)-5-methyl-2-(4-nitrophenyl)-4-[1-(pyridin-3-ylmethylamino)ethylidene]pyrazol-3-one
| Molecular Formula | C18H17N5O3 |
|---|---|
| Molecular Weight | 351.13 g/mol |
| LogP | 2.78642 |
| Topological Polar Surface Area | 106.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 351.13315 |
| Heavy Atoms | 26 |
| Complexity | 1017.23016 |
Chemical Identifiers
| CAS Number | 354543-05-8 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=NCC3=CN=CC=C3)C |
Product Overview
2-{4-nitrophenyl}-5-methyl-4-[N-(3-pyridinylmethyl)ethanimidoyl]-1,2-dihydro-3H-pyrazol-3-one (CAS 354543-05-8), with molecular formula C18H17N5O3 and molecular weight 351.13 g/mol. IUPAC: 5-methyl-4-[C-methyl-N-(pyridin-3-ylmethyl)carbonimidoyl]-2-(4-nitrophenyl)-1H-pyrazol-3-one.
Chemical Property Profile of 2-{4-nitrophenyl}-5-methyl-4-[N-(3-pyridinylmethyl)ethanimidoyl]-1,2-dihydro-3H-pyrazol-3-one
Property Insights of 2-{4-nitrophenyl}-5-methyl-4-[N-(3-pyridinylmethyl)ethanimidoyl]-1,2-dihydro-3H-pyrazol-3-one
The XLogP value of 2.78642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{4-nitrophenyl}-5-methyl-4-[N-(3-pyridinylmethyl)ethanimidoyl]-1,2-dihydro-3H-pyrazol-3-one. The TPSA of 106.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{4-nitrophenyl}-5-methyl-4-[N-(3-pyridinylmethyl)ethanimidoyl]-1,2-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 2-{4-nitrophenyl}-5-methyl-4-[N-(3-pyridinylmethyl)ethanimidoyl]-1,2-dihydro-3H-pyrazol-3-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{4-nitrophenyl}-5-methyl-4-[N-(3-pyridinylmethyl)ethanimidoyl]-1,2-dihydro-3H-pyrazol-3-one?
The CAS number of 2-{4-nitrophenyl}-5-methyl-4-[N-(3-pyridinylmethyl)ethanimidoyl]-1,2-dihydro-3H-pyrazol-3-one is 354543-05-8.
What is the molecular formula of 2-{4-nitrophenyl}-5-methyl-4-[N-(3-pyridinylmethyl)ethanimidoyl]-1,2-dihydro-3H-pyrazol-3-one?
The molecular formula of 2-{4-nitrophenyl}-5-methyl-4-[N-(3-pyridinylmethyl)ethanimidoyl]-1,2-dihydro-3H-pyrazol-3-one is C18H17N5O3.
What is the molecular weight of 2-{4-nitrophenyl}-5-methyl-4-[N-(3-pyridinylmethyl)ethanimidoyl]-1,2-dihydro-3H-pyrazol-3-one?
The molecular weight of 2-{4-nitrophenyl}-5-methyl-4-[N-(3-pyridinylmethyl)ethanimidoyl]-1,2-dihydro-3H-pyrazol-3-one is 351.13 g/mol.
Where can I buy 2-{4-nitrophenyl}-5-methyl-4-[N-(3-pyridinylmethyl)ethanimidoyl]-1,2-dihydro-3H-pyrazol-3-one?
You can request a quote for 2-{4-nitrophenyl}-5-methyl-4-[N-(3-pyridinylmethyl)ethanimidoyl]-1,2-dihydro-3H-pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{4-nitrophenyl}-5-methyl-4-[N-(3-pyridinylmethyl)ethanimidoyl]-1,2-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-{4-nitrophenyl}-5-methyl-4-[N-(3-pyridinylmethyl)ethanimidoyl]-1,2-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.