| CAS Number | 866782-06-1 |
| Catalog Number | AG019T3P(AGN-PC-0WOBJX) |
| Chemical Name | 1-[4-(1H-pyrazol-1-yl)phenyl]ethan-1-amine |
| IUPAC Name | 1-(4-pyrazol-1-ylphenyl)ethanamine |
| InChI | InChI=1S/C11H13N3/c1-9(12)10-3-5-11(6-4-10)14-8-2-7-13-14/h2-9H,12H2,1H3 |
| InChI Key | BCWSPVPPKRRCPI-UHFFFAOYSA-N |
| MDL Number | MFCD08572145 |
| Molecular Formula | C11H13N3 |
| Molecular Weight | 187.2410 |
| SMILES | CC(c1ccc(cc1)n1cccn1)N |
| Synonyms | 866782-06-1,
1-(4-(1H-Pyrazol-1-yl)phenyl)ethanamine,
1-[4-(1H-pyrazol-1-yl)phenyl]ethan-1-amine,
1-(4-(1H-Pyrazol-1-yl)phenyl)ethan-1-amine,
SCHEMBL5567481,
BCWSPVPPKRRCPI-UHFFFAOYSA-N,
MFCD08572145,
AKOS000219704,
AKOS022475166,
MCULE-8017930353,
NE18468,
1-(4-Pyrazol-1-yl-phenyl)-ethylamine,
AS-48374,
{1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}amine,
A1-12045,
Z1276751393,
(r)-1-(4-(1h-pyrazol-1-yl)phenyl)ethan-1-amine,
(s)-1-(4-(1h-pyrazol-1-yl)phenyl)ethan-1-amine,
1213139-00-4,
871721-01-6,
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| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.246g/mol |
| Monoisotopic Mass | 187.111g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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