(4-methoxyphenyl)-(5-methyl-3-phenylpyrazol-1-yl)methanone

C18H16N2O2 — CID 44622845

IUPAC(4-methoxyphenyl)-(5-methyl-3-phenylpyrazol-1-yl)methanone
SMILESCOc1ccc(C(=O)n2nc(-c3ccccc3)cc2C)cc1
InChIInChI=1S/C18H16N2O2/c1-13-12-17(14-6-4-3-5-7-14)19-20(13)18(21)15-8-10-16(22-2)11-9-15/h3-12H,1-2H3
InChIKeyCYZXQEDINWGQTK-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.56
Rot. Bonds3

About (4-methoxyphenyl)-(5-methyl-3-phenylpyrazol-1-yl)methanone

(4-methoxyphenyl)-(5-methyl-3-phenylpyrazol-1-yl)methanone (PubChem CID 44622845) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is (4-methoxyphenyl)-(5-methyl-3-phenylpyrazol-1-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(5-methyl-3-phenylpyrazol-1-yl)methanone
PubChem CID44622845
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name(4-methoxyphenyl)-(5-methyl-3-phenylpyrazol-1-yl)methanone
SMILESCOc1ccc(C(=O)n2nc(-c3ccccc3)cc2C)cc1
InChIInChI=1S/C18H16N2O2/c1-13-12-17(14-6-4-3-5-7-14)19-20(13)18(21)15-8-10-16(22-2)11-9-15/h3-12H,1-2H3
InChIKeyCYZXQEDINWGQTK-UHFFFAOYSA-N
XLogP3.56
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Methoxybenzoyl)-1H-benzotriazole
CID 710644
1H-Pyrazole, 1-(1,3-benzodioxol-5-ylcarbonyl)-3,5-dimethyl-
CID 686254
(4-Bromo-3,5-dimethylpyrazol-1-yl)(4-methoxyphenyl)methanone
CID 714833
Pyrazole, 3,5-dimethyl-1-(3,4,5-trimethoxybenzoyl)-
CID 737529
(3,4,5-Trimethoxy-phenyl)-(3,4,5-trimethyl-pyrazol-1-yl)-methanone
CID 753830
3-(4-methoxyphenyl)-N,N-dimethyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 752166
4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142
N-(4-methoxybenzyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 5015296
4-methoxy-N-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 819077
1-(2-ethoxybenzoyl)-3,5-dimethyl-1H-pyrazole
CID 898261
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 135753063
(3,5-dimethyl-1H-pyrazol-1-yl)(4-methoxyphenyl)methanone
CID 910410

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(5-methyl-3-phenylpyrazol-1-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(5-methyl-3-phenylpyrazol-1-yl)methanone (CID 44622845) is (4-methoxyphenyl)-(5-methyl-3-phenylpyrazol-1-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(5-methyl-3-phenylpyrazol-1-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(5-methyl-3-phenylpyrazol-1-yl)methanone is COc1ccc(C(=O)n2nc(-c3ccccc3)cc2C)cc1.
What is the InChIKey of (4-methoxyphenyl)-(5-methyl-3-phenylpyrazol-1-yl)methanone?
The InChIKey is CYZXQEDINWGQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-13-12-17(14-6-4-3-5-7-14)19-20(13)18(21)15-8-10-16(22-2)11-9-15/h3-12H,1-2H3.
What are the key properties of (4-methoxyphenyl)-(5-methyl-3-phenylpyrazol-1-yl)methanone?
(4-methoxyphenyl)-(5-methyl-3-phenylpyrazol-1-yl)methanone has a molecular weight of 292.34 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(5-methyl-3-phenylpyrazol-1-yl)methanone is sourced from PubChem (CID 44622845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).