3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxylic acid

C18H16N2O3 — CID 2513276

IUPAC3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxylic acid
SMILESCOc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)O)c1
InChIInChI=1S/C18H16N2O3/c1-12-6-8-14(9-7-12)20-11-16(18(21)22)17(19-20)13-4-3-5-15(10-13)23-2/h3-11H,1-2H3,(H,21,22)
InChIKeyNBUIXPYWAMPNLW-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.55
Rot. Bonds4

About 3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxylic acid

3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxylic acid (PubChem CID 2513276) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxylic acid
PubChem CID2513276
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxylic acid
SMILESCOc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)O)c1
InChIInChI=1S/C18H16N2O3/c1-12-6-8-14(9-7-12)20-11-16(18(21)22)17(19-20)13-4-3-5-15(10-13)23-2/h3-11H,1-2H3,(H,21,22)
InChIKeyNBUIXPYWAMPNLW-UHFFFAOYSA-N
XLogP3.55
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid
CID 750186
3-(3-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 2377173
3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 792340
[1-benzyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanol
CID 2496576
1-(4-methylphenyl)-3-phenyl-1H-pyrazole-4-carboxylic acid
CID 2513400
4-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazole-3-carboxylic acid
CID 1478012
3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 882240
1,3-diphenyl-1H-pyrazole-4-carboxylic acid
CID 847409
3-(4-methoxyphenyl)-N,N-dimethyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 752166
3-(3-Amino-4-methoxyphenyl)-1-phenylpyrazole-4-carboxylic acid
CID 1087054
(2-Hydroxy-5-methoxyphenyl)(1-phenyl-1H-pyrazol-4-yl)methanone
CID 2414358
3-[1-benzyl-3-(2-methoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid
CID 2526129

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxylic acid?
The IUPAC name of 3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxylic acid (CID 2513276) is 3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxylic acid is COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)O)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxylic acid?
The InChIKey is NBUIXPYWAMPNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12-6-8-14(9-7-12)20-11-16(18(21)22)17(19-20)13-4-3-5-15(10-13)23-2/h3-11H,1-2H3,(H,21,22).
What are the key properties of 3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxylic acid?
3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxylic acid has a molecular weight of 308.34 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 2513276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).