2-(1,3-dimethylpyrazol-4-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile
TL;DR: 2-(1,3-dimethylpyrazol-4-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile (CAS 956627-92-2) is a chemical compound with molecular formula C13H19N5 and molecular weight 245.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dimethylpyrazol-4-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile
Also Known As: A3949/0168222, 2-(1,3-dimethylpyrazol-4-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile, (1,3-dimethyl-1H-pyrazol-4-yl)(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile, (1,3-DIMETHYL-1H-PYRAZOL-4-YL)(3,5,5-TRIMETHYL-4,5-DIHYDRO-1H-PYRAZOL-1-YL)METHYL CYANIDE
| Molecular Formula | C13H19N5 |
|---|---|
| Molecular Weight | 245.16 g/mol |
| LogP | 2.1534 |
| Topological Polar Surface Area | 57.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.16405 |
| Heavy Atoms | 18 |
| Complexity | 532.0668 |
Chemical Identifiers
| CAS Number | 956627-92-2 |
|---|---|
| SMILES | CC1=NN(C(C1)(C)C)C(C#N)C2=CN(N=C2C)C |
Product Overview
2-(1,3-dimethylpyrazol-4-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile (CAS 956627-92-2), with molecular formula C13H19N5 and molecular weight 245.16 g/mol. IUPAC: 2-(1,3-dimethylpyrazol-4-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile.
Chemical Property Profile of 2-(1,3-dimethylpyrazol-4-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile
Property Insights of 2-(1,3-dimethylpyrazol-4-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile
The XLogP value of 2.1534 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-dimethylpyrazol-4-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile. With a topological polar surface area (TPSA) of 57.21 Ų, 2-(1,3-dimethylpyrazol-4-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-dimethylpyrazol-4-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile has 0 hydrogen bond donor(s) and 4 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-(1,3-dimethylpyrazol-4-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile?
The CAS number of 2-(1,3-dimethylpyrazol-4-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile is 956627-92-2.
What is the molecular formula of 2-(1,3-dimethylpyrazol-4-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile?
The molecular formula of 2-(1,3-dimethylpyrazol-4-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile is C13H19N5.
What is the molecular weight of 2-(1,3-dimethylpyrazol-4-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile?
The molecular weight of 2-(1,3-dimethylpyrazol-4-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile is 245.16 g/mol.
Where can I buy 2-(1,3-dimethylpyrazol-4-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile?
You can request a quote for 2-(1,3-dimethylpyrazol-4-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-dimethylpyrazol-4-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-dimethylpyrazol-4-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.