| CAS Number | 1003012-08-5 |
| Catalog Number | AG00JEV3(AGN-PC-0WBAM5) |
| Chemical Name | 1-isobutyl-1H-pyrazol-3-amine |
| IUPAC Name | 1-(2-methylpropyl)pyrazol-3-amine |
| InChI | InChI=1S/C7H13N3/c1-6(2)5-10-4-3-7(8)9-10/h3-4,6H,5H2,1-2H3,(H2,8,9) |
| InChI Key | HJCHYUULDNBCKE-UHFFFAOYSA-N |
| MDL Number | MFCD06805169 |
| Molecular Formula | C7H13N3 |
| Molecular Weight | 139.1982 |
| SMILES | CC(Cn1ccc(n1)N)C |
| Synonyms | 1003012-08-5,
1-ISOBUTYL-1H-PYRAZOL-3-AMINE,
1-(2-methylpropyl)-1H-pyrazol-3-amine,
1-(2-methylpropyl)pyrazole-3-ylamine,
SCHEMBL1856731,
CTK6A8383,
KS-00001NBB,
HJCHYUULDNBCKE-UHFFFAOYSA-N,
1-iso-butyl-1H-pyrazol-3-ylamine,
(1-Isobutyl-1H-pyrazol-3-yl)amine,
MFCD06805169,
SBB022907,
STK350101,
ZINC12357776,
AKOS000308953,
MCULE-1340058937,
ST45134595,
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| Complexity | 103 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 139.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 139.202g/mol |
| Monoisotopic Mass | 139.111g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number