1-[4-(4-methylbenzoyl)-1-phenylpyrazol-3-yl]ethanone

C19H16N2O2 — CID 1214550

IUPAC1-[4-(4-methylbenzoyl)-1-phenylpyrazol-3-yl]ethanone
SMILESCC(=O)c1nn(-c2ccccc2)cc1C(=O)c1ccc(C)cc1
InChIInChI=1S/C19H16N2O2/c1-13-8-10-15(11-9-13)19(23)17-12-21(20-18(17)14(2)22)16-6-4-3-5-7-16/h3-12H,1-2H3
InChIKeyWDIHHTZLNUSLJY-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.61
Rot. Bonds4

About 1-[4-(4-methylbenzoyl)-1-phenylpyrazol-3-yl]ethanone

1-[4-(4-methylbenzoyl)-1-phenylpyrazol-3-yl]ethanone (PubChem CID 1214550) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-[4-(4-methylbenzoyl)-1-phenylpyrazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-methylbenzoyl)-1-phenylpyrazol-3-yl]ethanone
PubChem CID1214550
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name1-[4-(4-methylbenzoyl)-1-phenylpyrazol-3-yl]ethanone
SMILESCC(=O)c1nn(-c2ccccc2)cc1C(=O)c1ccc(C)cc1
InChIInChI=1S/C19H16N2O2/c1-13-8-10-15(11-9-13)19(23)17-12-21(20-18(17)14(2)22)16-6-4-3-5-7-16/h3-12H,1-2H3
InChIKeyWDIHHTZLNUSLJY-UHFFFAOYSA-N
XLogP3.61
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylbenzoyl)-1-phenylpyrazol-3-yl]ethanone?
The IUPAC name of 1-[4-(4-methylbenzoyl)-1-phenylpyrazol-3-yl]ethanone (CID 1214550) is 1-[4-(4-methylbenzoyl)-1-phenylpyrazol-3-yl]ethanone.
What is the SMILES notation for 1-[4-(4-methylbenzoyl)-1-phenylpyrazol-3-yl]ethanone?
The canonical SMILES for 1-[4-(4-methylbenzoyl)-1-phenylpyrazol-3-yl]ethanone is CC(=O)c1nn(-c2ccccc2)cc1C(=O)c1ccc(C)cc1.
What is the InChIKey of 1-[4-(4-methylbenzoyl)-1-phenylpyrazol-3-yl]ethanone?
The InChIKey is WDIHHTZLNUSLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-13-8-10-15(11-9-13)19(23)17-12-21(20-18(17)14(2)22)16-6-4-3-5-7-16/h3-12H,1-2H3.
What are the key properties of 1-[4-(4-methylbenzoyl)-1-phenylpyrazol-3-yl]ethanone?
1-[4-(4-methylbenzoyl)-1-phenylpyrazol-3-yl]ethanone has a molecular weight of 304.35 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylbenzoyl)-1-phenylpyrazol-3-yl]ethanone is sourced from PubChem (CID 1214550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).