3-({4-nitro-1,3-dimethyl-1H-pyrazol-5-yl}carbonyl)-3,4-dihydro-1(2H)-phthalazinone
TL;DR: 3-({4-nitro-1,3-dimethyl-1H-pyrazol-5-yl}carbonyl)-3,4-dihydro-1(2H)-phthalazinone (CAS 512808-94-5) is a chemical compound with molecular formula C14H13N5O4 and molecular weight 315.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-dimethyl-4-nitropyrazole-5-carbonyl)-2,4-dihydrophthalazin-1-one
Also Known As: 3-({4-nitro-1,3-dimethyl-1H-pyrazol-5-yl}carbonyl)-3,4-dihydro-1(2H)-phthalazinone, 3-(2,5-dimethyl-4-nitropyrazole-3-carbonyl)-2,4-dihydrophthalazin-1-one, 3-[(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)carbonyl]-3,4-dihydrophthalazin-1(2H)-one, 3-(1,3-DIMETHYL-4-NITRO-1H-PYRAZOLE-5-CARBONYL)-1,2,3,4-TETRAHYDROPHTHALAZIN-1-ONE
| Molecular Formula | C14H13N5O4 |
|---|---|
| Molecular Weight | 315.10 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 315.09674 |
| Heavy Atoms | 23 |
| Complexity | 522.0 |
Chemical Identifiers
| CAS Number | 512808-94-5 |
|---|---|
| SMILES | CC1=NN(C(=C1[N+](=O)[O-])C(=O)N2CC3=CC=CC=C3C(=O)N2)C |
| InChIKey | IVROFGDJYJAREH-UHFFFAOYSA-N |
Product Overview
3-({4-nitro-1,3-dimethyl-1H-pyrazol-5-yl}carbonyl)-3,4-dihydro-1(2H)-phthalazinone (CAS 512808-94-5), with molecular formula C14H13N5O4 and molecular weight 315.10 g/mol. IUPAC: 3-(1,3-dimethyl-4-nitropyrazole-5-carbonyl)-2,4-dihydrophthalazin-1-one.
Chemical Property Profile of 3-({4-nitro-1,3-dimethyl-1H-pyrazol-5-yl}carbonyl)-3,4-dihydro-1(2H)-phthalazinone
Property Insights of 3-({4-nitro-1,3-dimethyl-1H-pyrazol-5-yl}carbonyl)-3,4-dihydro-1(2H)-phthalazinone
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-({4-nitro-1,3-dimethyl-1H-pyrazol-5-yl}carbonyl)-3,4-dihydro-1(2H)-phthalazinone. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-({4-nitro-1,3-dimethyl-1H-pyrazol-5-yl}carbonyl)-3,4-dihydro-1(2H)-phthalazinone. Following Lipinski's Rule of Five, 3-({4-nitro-1,3-dimethyl-1H-pyrazol-5-yl}carbonyl)-3,4-dihydro-1(2H)-phthalazinone 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 3-({4-nitro-1,3-dimethyl-1H-pyrazol-5-yl}carbonyl)-3,4-dihydro-1(2H)-phthalazinone?
The CAS number of 3-({4-nitro-1,3-dimethyl-1H-pyrazol-5-yl}carbonyl)-3,4-dihydro-1(2H)-phthalazinone is 512808-94-5.
What is the molecular formula of 3-({4-nitro-1,3-dimethyl-1H-pyrazol-5-yl}carbonyl)-3,4-dihydro-1(2H)-phthalazinone?
The molecular formula of 3-({4-nitro-1,3-dimethyl-1H-pyrazol-5-yl}carbonyl)-3,4-dihydro-1(2H)-phthalazinone is C14H13N5O4.
What is the molecular weight of 3-({4-nitro-1,3-dimethyl-1H-pyrazol-5-yl}carbonyl)-3,4-dihydro-1(2H)-phthalazinone?
The molecular weight of 3-({4-nitro-1,3-dimethyl-1H-pyrazol-5-yl}carbonyl)-3,4-dihydro-1(2H)-phthalazinone is 315.10 g/mol.
Where can I buy 3-({4-nitro-1,3-dimethyl-1H-pyrazol-5-yl}carbonyl)-3,4-dihydro-1(2H)-phthalazinone?
You can request a quote for 3-({4-nitro-1,3-dimethyl-1H-pyrazol-5-yl}carbonyl)-3,4-dihydro-1(2H)-phthalazinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-({4-nitro-1,3-dimethyl-1H-pyrazol-5-yl}carbonyl)-3,4-dihydro-1(2H)-phthalazinone?
Yes, KEHONG BIO provides custom synthesis services for 3-({4-nitro-1,3-dimethyl-1H-pyrazol-5-yl}carbonyl)-3,4-dihydro-1(2H)-phthalazinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.