(2,3-dimethylphenyl)-(2-phenylpyrazol-3-yl)methanone

C18H16N2O — CID 107331815

IUPAC(2,3-dimethylphenyl)-(2-phenylpyrazol-3-yl)methanone
SMILESCc1cccc(C(=O)c2ccnn2-c2ccccc2)c1C
InChIInChI=1S/C18H16N2O/c1-13-7-6-10-16(14(13)2)18(21)17-11-12-19-20(17)15-8-4-3-5-9-15/h3-12H,1-2H3
InChIKeyKIGZEOWSNZGMCE-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.72
Rot. Bonds3

About (2,3-dimethylphenyl)-(2-phenylpyrazol-3-yl)methanone

(2,3-dimethylphenyl)-(2-phenylpyrazol-3-yl)methanone (PubChem CID 107331815) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-(2-phenylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-(2-phenylpyrazol-3-yl)methanone
PubChem CID107331815
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name(2,3-dimethylphenyl)-(2-phenylpyrazol-3-yl)methanone
SMILESCc1cccc(C(=O)c2ccnn2-c2ccccc2)c1C
InChIInChI=1S/C18H16N2O/c1-13-7-6-10-16(14(13)2)18(21)17-11-12-19-20(17)15-8-4-3-5-9-15/h3-12H,1-2H3
InChIKeyKIGZEOWSNZGMCE-UHFFFAOYSA-N
XLogP3.72
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2,3-dimethylphenyl)-(2-phenylpyrazol-3-yl)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

(2-methylsulfanylphenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107331845
(2-bromo-4-methylphenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107331774
(3-iodophenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107331809
(5-chloro-2-fluorophenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107330252
(2-methylpyrimidin-4-yl)-(2-phenylpyrazol-3-yl)methanone
CID 107330211
(2-phenylpyrazol-3-yl)-pyridin-2-ylmethanone
CID 107330077
(1-methylimidazol-4-yl)-(2-phenylpyrazol-3-yl)methanone
CID 107977650
(3,5-difluorophenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107330104
(3,4-dichlorophenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107330203
2-(tert-butylamino)-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331688
(3-ethyl-2-pyridinyl)-(2-phenylpyrazol-3-yl)methanone
CID 107330218
2-phenylpyrazole-3-carbothioamide
CID 83387115

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)-(2-phenylpyrazol-3-yl)methanone?
The IUPAC name of (2,3-dimethylphenyl)-(2-phenylpyrazol-3-yl)methanone (CID 107331815) is (2,3-dimethylphenyl)-(2-phenylpyrazol-3-yl)methanone.
What is the SMILES notation for (2,3-dimethylphenyl)-(2-phenylpyrazol-3-yl)methanone?
The canonical SMILES for (2,3-dimethylphenyl)-(2-phenylpyrazol-3-yl)methanone is Cc1cccc(C(=O)c2ccnn2-c2ccccc2)c1C.
What is the InChIKey of (2,3-dimethylphenyl)-(2-phenylpyrazol-3-yl)methanone?
The InChIKey is KIGZEOWSNZGMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-13-7-6-10-16(14(13)2)18(21)17-11-12-19-20(17)15-8-4-3-5-9-15/h3-12H,1-2H3.
What are the key properties of (2,3-dimethylphenyl)-(2-phenylpyrazol-3-yl)methanone?
(2,3-dimethylphenyl)-(2-phenylpyrazol-3-yl)methanone has a molecular weight of 276.34 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl)-(2-phenylpyrazol-3-yl)methanone is sourced from PubChem (CID 107331815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).