(3-phenyl-1H-pyrazol-5-yl)-(2,4,6-trimethylphenyl)methanone

C19H18N2O — CID 135066254

IUPAC(3-phenyl-1H-pyrazol-5-yl)-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2cc(-c3ccccc3)n[nH]2)c(C)c1
InChIInChI=1S/C19H18N2O/c1-12-9-13(2)18(14(3)10-12)19(22)17-11-16(20-21-17)15-7-5-4-6-8-15/h4-11H,1-3H3,(H,20,21)
InChIKeyJCVPLRJRBQFVSD-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.23
Rot. Bonds3

About (3-phenyl-1H-pyrazol-5-yl)-(2,4,6-trimethylphenyl)methanone

(3-phenyl-1H-pyrazol-5-yl)-(2,4,6-trimethylphenyl)methanone (PubChem CID 135066254) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is (3-phenyl-1H-pyrazol-5-yl)-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name(3-phenyl-1H-pyrazol-5-yl)-(2,4,6-trimethylphenyl)methanone
PubChem CID135066254
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name(3-phenyl-1H-pyrazol-5-yl)-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2cc(-c3ccccc3)n[nH]2)c(C)c1
InChIInChI=1S/C19H18N2O/c1-12-9-13(2)18(14(3)10-12)19(22)17-11-16(20-21-17)15-7-5-4-6-8-15/h4-11H,1-3H3,(H,20,21)
InChIKeyJCVPLRJRBQFVSD-UHFFFAOYSA-N
XLogP4.23
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-phenyl-1H-pyrazol-5-yl)-(2,4,6-trimethylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

anthra(1,9-cd)pyrazol-6(2H)-one
CID 8515
3-phenyl-1H-pyrazole-5-carbohydrazide
CID 727014
3-cyclopropyl-N'-[(E)-1-naphthylmethylidene]-1H-pyrazole-5-carbohydrazide
CID 6889175
5-Methyl-2H-pyrazole-3-carboxylic acid anthracen-9-ylmethylene-hydrazide
CID 9556533
3-methyl-N'-(2-naphthylmethylene)-1H-pyrazole-5-carbohydrazide
CID 9556881
5-cyclopropyl-N-(1-phenylpropylideneamino)-1H-pyrazole-3-carboxamide
CID 9616968
5-Methyl-2H-pyrazole-3-carboxylic acid (1-biphenyl-4-yl-ethylidene)-hydrazide
CID 9592732
5-Phenyl-1H-pyrazole-3-carbaldehyde
CID 575563
1-(1H-indazol-3-yl)ethan-1-one
CID 15684169
2-[3-(3,4-Dimethylphenyl)-1H-pyrazole-5-carbonyl]-1,2,3,4-tetrahydroisoquinoline
CID 20918348
3-tert-butyl-N'-(1-methyl-2-phenylethylidene)-1H-pyrazole-5-carbohydrazide
CID 5409281
3-phenyl-N'-[(E)-phenylmethylidene]-1H-pyrazole-5-carbohydrazide
CID 6867023

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1H-pyrazol-5-yl)-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of (3-phenyl-1H-pyrazol-5-yl)-(2,4,6-trimethylphenyl)methanone (CID 135066254) is (3-phenyl-1H-pyrazol-5-yl)-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for (3-phenyl-1H-pyrazol-5-yl)-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for (3-phenyl-1H-pyrazol-5-yl)-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)c2cc(-c3ccccc3)n[nH]2)c(C)c1.
What is the InChIKey of (3-phenyl-1H-pyrazol-5-yl)-(2,4,6-trimethylphenyl)methanone?
The InChIKey is JCVPLRJRBQFVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-12-9-13(2)18(14(3)10-12)19(22)17-11-16(20-21-17)15-7-5-4-6-8-15/h4-11H,1-3H3,(H,20,21).
What are the key properties of (3-phenyl-1H-pyrazol-5-yl)-(2,4,6-trimethylphenyl)methanone?
(3-phenyl-1H-pyrazol-5-yl)-(2,4,6-trimethylphenyl)methanone has a molecular weight of 290.37 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1H-pyrazol-5-yl)-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 135066254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).