(2-hydroxyphenyl)-[1-(4-methoxyphenyl)pyrazol-4-yl]methanone

C17H14N2O3 — CID 1481827

IUPAC(2-hydroxyphenyl)-[1-(4-methoxyphenyl)pyrazol-4-yl]methanone
SMILESCOc1ccc(-n2cc(C(=O)c3ccccc3O)cn2)cc1
InChIInChI=1S/C17H14N2O3/c1-22-14-8-6-13(7-9-14)19-11-12(10-18-19)17(21)15-4-2-3-5-16(15)20/h2-11,20H,1H3
InChIKeySPMDEJUEPVWRHK-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.82
Rot. Bonds4

About (2-hydroxyphenyl)-[1-(4-methoxyphenyl)pyrazol-4-yl]methanone

(2-hydroxyphenyl)-[1-(4-methoxyphenyl)pyrazol-4-yl]methanone (PubChem CID 1481827) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is (2-hydroxyphenyl)-[1-(4-methoxyphenyl)pyrazol-4-yl]methanone.

Molecular Properties

Compound Name(2-hydroxyphenyl)-[1-(4-methoxyphenyl)pyrazol-4-yl]methanone
PubChem CID1481827
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name(2-hydroxyphenyl)-[1-(4-methoxyphenyl)pyrazol-4-yl]methanone
SMILESCOc1ccc(-n2cc(C(=O)c3ccccc3O)cn2)cc1
InChIInChI=1S/C17H14N2O3/c1-22-14-8-6-13(7-9-14)19-11-12(10-18-19)17(21)15-4-2-3-5-16(15)20/h2-11,20H,1H3
InChIKeySPMDEJUEPVWRHK-UHFFFAOYSA-N
XLogP2.82
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-Fluoro-2-hydroxyphenyl)(1-phenyl-1H-pyrazol-4-yl)methanone
CID 854139
2-Hydroxyphenyl 1-phenyl-1H-pyrazol-4-yl ketone
CID 688697
3-(3-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 2377173
(5-Bromo-2-hydroxy-phenyl)-(1-phenyl-1H-pyrazol-4-yl)ketone
CID 688693
3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 792340
4-benzoyl-1-(4-methoxyphenyl)-1H-pyrazol-5-amine
CID 11601759
7-Hydroxy-3-(1-phenyl-1H-pyrazol-4-yl)-chromen-4-one
CID 5407918
3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 882240
3-(4-methoxyphenyl)-N,N-dimethyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 752166
(2-Hydroxy-5-methoxyphenyl)(1-phenyl-1H-pyrazol-4-yl)methanone
CID 2414358
1-benzyl-3-(3-methoxyphenyl)-1H-pyrazole-4-carboxylic acid
CID 2608796
[1-(tert-butyl)-1H-pyrazol-4-yl][2-(3-fluoropropoxy)phenyl]methanone
CID 2768408

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-[1-(4-methoxyphenyl)pyrazol-4-yl]methanone?
The IUPAC name of (2-hydroxyphenyl)-[1-(4-methoxyphenyl)pyrazol-4-yl]methanone (CID 1481827) is (2-hydroxyphenyl)-[1-(4-methoxyphenyl)pyrazol-4-yl]methanone.
What is the SMILES notation for (2-hydroxyphenyl)-[1-(4-methoxyphenyl)pyrazol-4-yl]methanone?
The canonical SMILES for (2-hydroxyphenyl)-[1-(4-methoxyphenyl)pyrazol-4-yl]methanone is COc1ccc(-n2cc(C(=O)c3ccccc3O)cn2)cc1.
What is the InChIKey of (2-hydroxyphenyl)-[1-(4-methoxyphenyl)pyrazol-4-yl]methanone?
The InChIKey is SPMDEJUEPVWRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-22-14-8-6-13(7-9-14)19-11-12(10-18-19)17(21)15-4-2-3-5-16(15)20/h2-11,20H,1H3.
What are the key properties of (2-hydroxyphenyl)-[1-(4-methoxyphenyl)pyrazol-4-yl]methanone?
(2-hydroxyphenyl)-[1-(4-methoxyphenyl)pyrazol-4-yl]methanone has a molecular weight of 294.31 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-[1-(4-methoxyphenyl)pyrazol-4-yl]methanone is sourced from PubChem (CID 1481827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).