(5-methyl-3-phenyl-1H-pyrazol-4-yl)-phenylmethanone

C17H14N2O — CID 10777890

IUPAC(5-methyl-3-phenyl-1H-pyrazol-4-yl)-phenylmethanone
SMILESCc1[nH]nc(-c2ccccc2)c1C(=O)c1ccccc1
InChIInChI=1S/C17H14N2O/c1-12-15(17(20)14-10-6-3-7-11-14)16(19-18-12)13-8-4-2-5-9-13/h2-11H,1H3,(H,18,19)
InChIKeyJVQFFFQMDCOGLF-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.62
Rot. Bonds3

About (5-methyl-3-phenyl-1H-pyrazol-4-yl)-phenylmethanone

(5-methyl-3-phenyl-1H-pyrazol-4-yl)-phenylmethanone (PubChem CID 10777890) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is (5-methyl-3-phenyl-1H-pyrazol-4-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-methyl-3-phenyl-1H-pyrazol-4-yl)-phenylmethanone
PubChem CID10777890
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name(5-methyl-3-phenyl-1H-pyrazol-4-yl)-phenylmethanone
SMILESCc1[nH]nc(-c2ccccc2)c1C(=O)c1ccccc1
InChIInChI=1S/C17H14N2O/c1-12-15(17(20)14-10-6-3-7-11-14)16(19-18-12)13-8-4-2-5-9-13/h2-11H,1H3,(H,18,19)
InChIKeyJVQFFFQMDCOGLF-UHFFFAOYSA-N
XLogP3.62
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 705460
5-Methyl-2H-pyrazole-3-carboxylic acid (1-biphenyl-4-yl-ethylidene)-hydrazide
CID 9592732
5-Phenyl-1H-pyrazole-3-carbaldehyde
CID 575563
3-phenyl-N'-[(E)-phenylmethylidene]-1H-pyrazole-5-carbohydrazide
CID 6867023
3-(2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 53017439
4-[(4,5,6,7-Tetrahydro-6,6-dimethyl-4-oxo-2H-indazol-3-yl)methyl]benzonitrile
CID 145966191
5-Phenyl-2H-pyrazole-3-carboxylic acid cyclohexylidene-hydrazide
CID 820056
4-methyl-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 3116416
N-[(4-tert-butylcyclohexylidene)amino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 3636327
6-(4-fluorophenyl)-3-methyl-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 6472978
4-[[3-(4-fluorophenyl)phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 71455283
3-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one
CID 4080514

Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-phenyl-1H-pyrazol-4-yl)-phenylmethanone?
The IUPAC name of (5-methyl-3-phenyl-1H-pyrazol-4-yl)-phenylmethanone (CID 10777890) is (5-methyl-3-phenyl-1H-pyrazol-4-yl)-phenylmethanone.
What is the SMILES notation for (5-methyl-3-phenyl-1H-pyrazol-4-yl)-phenylmethanone?
The canonical SMILES for (5-methyl-3-phenyl-1H-pyrazol-4-yl)-phenylmethanone is Cc1[nH]nc(-c2ccccc2)c1C(=O)c1ccccc1.
What is the InChIKey of (5-methyl-3-phenyl-1H-pyrazol-4-yl)-phenylmethanone?
The InChIKey is JVQFFFQMDCOGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-12-15(17(20)14-10-6-3-7-11-14)16(19-18-12)13-8-4-2-5-9-13/h2-11H,1H3,(H,18,19).
What are the key properties of (5-methyl-3-phenyl-1H-pyrazol-4-yl)-phenylmethanone?
(5-methyl-3-phenyl-1H-pyrazol-4-yl)-phenylmethanone has a molecular weight of 262.31 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-phenyl-1H-pyrazol-4-yl)-phenylmethanone is sourced from PubChem (CID 10777890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).