| CAS Number | 956780-06-6 |
| Catalog Number | AG019OJ3 |
| Chemical Name | 1-[(4-tert-butylphenyl)methyl]-1H-pyrazol-5-amine |
| IUPAC Name | 2-[(4-tert-butylphenyl)methyl]pyrazol-3-amine |
| InChI | InChI=1S/C14H19N3/c1-14(2,3)12-6-4-11(5-7-12)10-17-13(15)8-9-16-17/h4-9H,10,15H2,1-3H3 |
| InChI Key | AVDQVRFFOMTZJH-UHFFFAOYSA-N |
| MDL Number | MFCD07330842 |
| Molecular Formula | C14H19N3 |
| Molecular Weight | 229.3208 |
| SMILES | CC(C1=CC=C(CN2C(N)=CC=N2)C=C1)(C)C |
| Synonyms | 956780-06-6,
1-[(4-tert-butylphenyl)methyl]-1H-pyrazol-5-amine,
1-(4-tert-butylbenzyl)-1H-pyrazol-5-amine,
AC1NLR8N,
AC1Q1M6H,
2-(4-tert-butyl-benzyl)-2H-pyrazol-3-ylamine,
SCHEMBL1613253,
CTK7E0271,
ZINC4207365,
AKOS000263698,
MCULE-2991530748,
NE37237,
EN300-14134,
2-[(4-tert-butylphenyl)methyl]pyrazol-3-amine,
SR-01000073728,
SR-01000073728-1,
Z96093370,
ZINC04207365,
CID4962849,
|
| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.327g/mol |
| Monoisotopic Mass | 229.158g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number