1-Methyl-N'-(propan-2-ylidene)-1H-pyrrole-2-carbohydrazide
TL;DR: 1-Methyl-N'-(propan-2-ylidene)-1H-pyrrole-2-carbohydrazide (CAS 672884-96-7) is a chemical compound with molecular formula C9H13N3O and molecular weight 179.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-N-(propan-2-ylideneamino)pyrrole-2-carboxamide
Also Known As: 1-Methyl-N'-(propan-2-ylidene)-1H-pyrrole-2-carbohydrazide, 1-methyl-N-(propan-2-ylideneamino)pyrrole-2-carboxamide
| Molecular Formula | C9H13N3O |
|---|---|
| Molecular Weight | 179.11 g/mol |
| LogP | 1.1507 |
| Topological Polar Surface Area | 46.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.10587 |
| Heavy Atoms | 13 |
| Complexity | 334.38394 |
Chemical Identifiers
| CAS Number | 672884-96-7 |
|---|---|
| SMILES | CC(=NNC(=O)C1=CC=CN1C)C |
Product Overview
1-Methyl-N'-(propan-2-ylidene)-1H-pyrrole-2-carbohydrazide (CAS 672884-96-7), with molecular formula C9H13N3O and molecular weight 179.11 g/mol. IUPAC: 1-methyl-N-(propan-2-ylideneamino)pyrrole-2-carboxamide.
Chemical Property Profile of 1-Methyl-N'-(propan-2-ylidene)-1H-pyrrole-2-carbohydrazide
Property Insights of 1-Methyl-N'-(propan-2-ylidene)-1H-pyrrole-2-carbohydrazide
The XLogP value of 1.1507 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-N'-(propan-2-ylidene)-1H-pyrrole-2-carbohydrazide. With a topological polar surface area (TPSA) of 46.39 Ų, 1-Methyl-N'-(propan-2-ylidene)-1H-pyrrole-2-carbohydrazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-N'-(propan-2-ylidene)-1H-pyrrole-2-carbohydrazide has 1 hydrogen bond donor(s) and 2 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 1-Methyl-N'-(propan-2-ylidene)-1H-pyrrole-2-carbohydrazide?
The CAS number of 1-Methyl-N'-(propan-2-ylidene)-1H-pyrrole-2-carbohydrazide is 672884-96-7.
What is the molecular formula of 1-Methyl-N'-(propan-2-ylidene)-1H-pyrrole-2-carbohydrazide?
The molecular formula of 1-Methyl-N'-(propan-2-ylidene)-1H-pyrrole-2-carbohydrazide is C9H13N3O.
What is the molecular weight of 1-Methyl-N'-(propan-2-ylidene)-1H-pyrrole-2-carbohydrazide?
The molecular weight of 1-Methyl-N'-(propan-2-ylidene)-1H-pyrrole-2-carbohydrazide is 179.11 g/mol.
Where can I buy 1-Methyl-N'-(propan-2-ylidene)-1H-pyrrole-2-carbohydrazide?
You can request a quote for 1-Methyl-N'-(propan-2-ylidene)-1H-pyrrole-2-carbohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-N'-(propan-2-ylidene)-1H-pyrrole-2-carbohydrazide?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-N'-(propan-2-ylidene)-1H-pyrrole-2-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.