| CAS Number | 111016-46-7 |
| Catalog Number | AG00HBSL(AGN-PC-0LOJQU) |
| Chemical Name | 4-(4-methylphenyl)-1H-pyrazole |
| IUPAC Name | 4-(4-methylphenyl)-1H-pyrazole |
| InChI | InChI=1S/C10H10N2/c1-8-2-4-9(5-3-8)10-6-11-12-7-10/h2-7H,1H3,(H,11,12) |
| InChI Key | GVPZWBOTTBCWNU-UHFFFAOYSA-N |
| MDL Number | MFCD03646991 |
| Molecular Formula | C10H10N2 |
| Molecular Weight | 158.1998 |
| SMILES | CC1=CC=C(C2=CNN=C2)C=C1 |
| Synonyms | 4-(4-methylphenyl)-1H-pyrazole,
111016-46-7,
4-p-Tolyl-1H-pyrazole,
1H-Pyrazole, 4-(4-methylphenyl)-,
4-(p-Tolyl)-1H-pyrazole,
pyrazole analogue, 6,
SCHEMBL844167,
BDBM17450,
CTK6B8011,
ZINC1504497,
AKOS006237880,
MCULE-1630091967,
NE18548,
DA-22486,
FT-0725712,
EN300-61039,
AC1NPY39,
AC1Q2K1V,
CID5212048,
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| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.084398g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.2g/mol |
| Monoisotopic Mass | 158.084398g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number