2-Butenenitrile, 3-(5-amino-3-methyl-1H-pyrazol-1-yl)-
TL;DR: 2-Butenenitrile, 3-(5-amino-3-methyl-1H-pyrazol-1-yl)- (CAS 64663-98-5) is a chemical compound with molecular formula C8H10N4 and molecular weight 162.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-amino-3-methylpyrazol-1-yl)but-2-enenitrile
Also Known As: 3-(5-amino-3-methylpyrazol-1-yl)but-2-enenitrile, 2-Butenenitrile, 3-(5-amino-3-methyl-1H-pyrazol-1-yl)-, 3-(5-Amino-3-methyl-1H-pyrazol-1-yl)but-2-enenitrile, 3,4-bis-bromomethyl-thiophene-2,5-dicarboxylic acid dimethyl ester
| Molecular Formula | C8H10N4 |
|---|---|
| Molecular Weight | 162.09 g/mol |
| LogP | 1.1581 |
| Topological Polar Surface Area | 67.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 162.09055 |
| Heavy Atoms | 12 |
| Complexity | 353.62503 |
Chemical Identifiers
| CAS Number | 64663-98-5 |
|---|---|
| SMILES | CC1=NN(C(=C1)N)C(=CC#N)C |
Product Overview
2-Butenenitrile, 3-(5-amino-3-methyl-1H-pyrazol-1-yl)- (CAS 64663-98-5), with molecular formula C8H10N4 and molecular weight 162.09 g/mol. IUPAC: 3-(5-amino-3-methylpyrazol-1-yl)but-2-enenitrile.
Chemical Property Profile of 2-Butenenitrile, 3-(5-amino-3-methyl-1H-pyrazol-1-yl)-
Property Insights of 2-Butenenitrile, 3-(5-amino-3-methyl-1H-pyrazol-1-yl)-
The XLogP value of 1.1581 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenenitrile, 3-(5-amino-3-methyl-1H-pyrazol-1-yl)-. The TPSA of 67.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butenenitrile, 3-(5-amino-3-methyl-1H-pyrazol-1-yl)-. Following Lipinski's Rule of Five, 2-Butenenitrile, 3-(5-amino-3-methyl-1H-pyrazol-1-yl)- has 1 hydrogen bond donor(s) and 3 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-Butenenitrile, 3-(5-amino-3-methyl-1H-pyrazol-1-yl)-?
The CAS number of 2-Butenenitrile, 3-(5-amino-3-methyl-1H-pyrazol-1-yl)- is 64663-98-5.
What is the molecular formula of 2-Butenenitrile, 3-(5-amino-3-methyl-1H-pyrazol-1-yl)-?
The molecular formula of 2-Butenenitrile, 3-(5-amino-3-methyl-1H-pyrazol-1-yl)- is C8H10N4.
What is the molecular weight of 2-Butenenitrile, 3-(5-amino-3-methyl-1H-pyrazol-1-yl)-?
The molecular weight of 2-Butenenitrile, 3-(5-amino-3-methyl-1H-pyrazol-1-yl)- is 162.09 g/mol.
Where can I buy 2-Butenenitrile, 3-(5-amino-3-methyl-1H-pyrazol-1-yl)-?
You can request a quote for 2-Butenenitrile, 3-(5-amino-3-methyl-1H-pyrazol-1-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenenitrile, 3-(5-amino-3-methyl-1H-pyrazol-1-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenenitrile, 3-(5-amino-3-methyl-1H-pyrazol-1-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.