![4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]aniline structure](/static/products/1005/1005596-25-7.webp)
4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]aniline
TL;DR: 4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]aniline (CAS 1005596-25-7) is a chemical compound with molecular formula C12H15N3 and molecular weight 201.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3,5-dimethylpyrazol-1-yl)methyl]aniline
Also Known As: 4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]aniline, 4-[(3,5-dimethylpyrazol-1-yl)methyl]aniline, o-Nitrophenyl-sulphonyl-acetonitril, 4-((3,5-Dimethyl-1H-pyrazol-1-yl)methyl)aniline, 4-[(3,5-dimethylpyrazolyl)methyl]phenylamine
| Molecular Formula | C12H15N3 |
|---|---|
| Molecular Weight | 201.13 g/mol |
| LogP | 2.13044 |
| Topological Polar Surface Area | 43.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.1266 |
| Heavy Atoms | 15 |
| Complexity | 454.2195 |
Chemical Identifiers
| CAS Number | 1005596-25-7 |
|---|---|
| SMILES | CC1=CC(=NN1CC2=CC=C(C=C2)N)C |
Product Overview
4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]aniline (CAS 1005596-25-7), with molecular formula C12H15N3 and molecular weight 201.13 g/mol. IUPAC: 4-[(3,5-dimethylpyrazol-1-yl)methyl]aniline.
Chemical Property Profile of 4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]aniline
Property Insights of 4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]aniline
The XLogP value of 2.13044 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]aniline. With a topological polar surface area (TPSA) of 43.84 Ų, 4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]aniline 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 4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]aniline?
The CAS number of 4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]aniline is 1005596-25-7.
What is the molecular formula of 4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]aniline?
The molecular formula of 4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]aniline is C12H15N3.
What is the molecular weight of 4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]aniline?
The molecular weight of 4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]aniline is 201.13 g/mol.
Where can I buy 4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]aniline?
You can request a quote for 4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.