| CAS Number | 10199-69-6 |
| Catalog Number | AG00066S(AGN-PC-00NLWX) |
| Chemical Name | 1-Methyl-4-phenyl-1H-pyrazole |
| IUPAC Name | 1-methyl-4-phenylpyrazole |
| InChI | InChI=1S/C10H10N2/c1-12-8-10(7-11-12)9-5-3-2-4-6-9/h2-8H,1H3 |
| InChI Key | DFMTZSKRSKATQR-UHFFFAOYSA-N |
| MDL Number | MFCD12964229 |
| Molecular Formula | C10H10N2 |
| Molecular Weight | 158.1998 |
| SMILES | CN1N=CC(C2=CC=CC=C2)=C1 |
| Synonyms | 1-Methyl-4-phenyl-1H-pyrazole,
1-methyl-4-phenylpyrazole,
10199-69-6,
1H-Pyrazole, 1-methyl-4-phenyl-,
SCHEMBL244970,
CTK0G7861,
DTXSID90546841,
DFMTZSKRSKATQR-UHFFFAOYSA-N,
ZINC34127735,
AKOS012064713,
20518-17-6,
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| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.204g/mol |
| Monoisotopic Mass | 158.084g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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