1-(4-methoxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid

C15H16N2O3 — CID 82361607

IUPAC1-(4-methoxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid
SMILESCOc1ccc(-n2ncc(C(=O)O)c2C=C(C)C)cc1
InChIInChI=1S/C15H16N2O3/c1-10(2)8-14-13(15(18)19)9-16-17(14)11-4-6-12(20-3)7-5-11/h4-9H,1-3H3,(H,18,19)
InChIKeyUJKHCIVGUNZDOI-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.00
Rot. Bonds4

About 1-(4-methoxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid

1-(4-methoxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid (PubChem CID 82361607) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid
PubChem CID82361607
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-(4-methoxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid
SMILESCOc1ccc(-n2ncc(C(=O)O)c2C=C(C)C)cc1
InChIInChI=1S/C15H16N2O3/c1-10(2)8-14-13(15(18)19)9-16-17(14)11-4-6-12(20-3)7-5-11/h4-9H,1-3H3,(H,18,19)
InChIKeyUJKHCIVGUNZDOI-UHFFFAOYSA-N
XLogP3.00
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-carboxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid
CID 82361635
1-(4-fluorophenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid
CID 82361611
1-(3,5-dimethylphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid
CID 82361629
1-(3-hydroxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid
CID 82361608
5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid
CID 63173747
5-(2-methylprop-1-enyl)-1-(3-methylsulfanylphenyl)pyrazole-4-carboxylic acid
CID 82361642
4-methoxy-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid
CID 117233112
1-(4-methoxyphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 42818387
1-(4-hydroxy-2-methylphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid
CID 82361615
2-[5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid
CID 115069138
5-fluoro-1-(4-fluorophenyl)pyrazole-4-carboxylic acid
CID 115034303
(E)-3-(4-methoxyphenyl)-1-(5-methyl-1-phenylpyrazol-4-yl)prop-2-en-1-one
CID 31247775

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(4-methoxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid (CID 82361607) is 1-(4-methoxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(4-methoxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid is COc1ccc(-n2ncc(C(=O)O)c2C=C(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid?
The InChIKey is UJKHCIVGUNZDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10(2)8-14-13(15(18)19)9-16-17(14)11-4-6-12(20-3)7-5-11/h4-9H,1-3H3,(H,18,19).
What are the key properties of 1-(4-methoxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid?
1-(4-methoxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 82361607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).