3-(4-methoxyphenyl)-1-phenylpyrazole-5-carboxamide

C17H15N3O2 — CID 10859327

IUPAC3-(4-methoxyphenyl)-1-phenylpyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H15N3O2/c1-22-14-9-7-12(8-10-14)15-11-16(17(18)21)20(19-15)13-5-3-2-4-6-13/h2-11H,1H3,(H2,18,21)
InChIKeyHIAYIJXSCBQYLZ-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.65
Rot. Bonds4

About 3-(4-methoxyphenyl)-1-phenylpyrazole-5-carboxamide

3-(4-methoxyphenyl)-1-phenylpyrazole-5-carboxamide (PubChem CID 10859327) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-phenylpyrazole-5-carboxamide
PubChem CID10859327
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name3-(4-methoxyphenyl)-1-phenylpyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H15N3O2/c1-22-14-9-7-12(8-10-14)15-11-16(17(18)21)20(19-15)13-5-3-2-4-6-13/h2-11H,1H3,(H2,18,21)
InChIKeyHIAYIJXSCBQYLZ-UHFFFAOYSA-N
XLogP2.65
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-1-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 812061
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide
CID 7900022
(2,6-dimethylmorpholin-4-yl)-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]methanone
CID 42755284
3-(4-methoxyphenyl)-1-phenyl-N-(1-phenylethylideneamino)pyrazole-5-carboxamide
CID 3431104
1-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]-2-(1-phenylethylideneamino)ethanone
CID 157323654
[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 812015
ethyl 1-[3-(4-methoxyphenyl)-1-phenylpyrazole-5-carbonyl]piperidine-4-carboxylate
CID 5145752
1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 22308209
N-(2-fluorophenyl)-1-(4-methoxyphenyl)-3-phenylpyrazole-5-carboxamide
CID 42754604
1-(4-methoxyphenyl)-3-[4-(2-methylpropyl)phenyl]pyrazole-5-carboxylic acid
CID 91872022
3-[3-(dimethylamino)phenyl]-1-(4-phenoxyphenyl)pyrazole-5-carboxamide
CID 144992290
3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 42755174

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-phenylpyrazole-5-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-1-phenylpyrazole-5-carboxamide (CID 10859327) is 3-(4-methoxyphenyl)-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-1-phenylpyrazole-5-carboxamide is COc1ccc(-c2cc(C(N)=O)n(-c3ccccc3)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-phenylpyrazole-5-carboxamide?
The InChIKey is HIAYIJXSCBQYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-22-14-9-7-12(8-10-14)15-11-16(17(18)21)20(19-15)13-5-3-2-4-6-13/h2-11H,1H3,(H2,18,21).
What are the key properties of 3-(4-methoxyphenyl)-1-phenylpyrazole-5-carboxamide?
3-(4-methoxyphenyl)-1-phenylpyrazole-5-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 10859327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).