1-(3,4-dimethylphenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid

C16H20N2O2 — CID 82093379

IUPAC1-(3,4-dimethylphenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid
SMILESCc1ccc(-n2nc(C(=O)O)cc2CC(C)C)cc1C
InChIInChI=1S/C16H20N2O2/c1-10(2)7-14-9-15(16(19)20)17-18(14)13-6-5-11(3)12(4)8-13/h5-6,8-10H,7H2,1-4H3,(H,19,20)
InChIKeySYZKAGIFMMIGJQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.39
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid

1-(3,4-dimethylphenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid (PubChem CID 82093379) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid
PubChem CID82093379
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-(3,4-dimethylphenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid
SMILESCc1ccc(-n2nc(C(=O)O)cc2CC(C)C)cc1C
InChIInChI=1S/C16H20N2O2/c1-10(2)7-14-9-15(16(19)20)17-18(14)13-6-5-11(3)12(4)8-13/h5-6,8-10H,7H2,1-4H3,(H,19,20)
InChIKeySYZKAGIFMMIGJQ-UHFFFAOYSA-N
XLogP3.39
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethylphenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid
CID 82093384
1-(2-methylphenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid
CID 82089543
1-(2,4-dimethylphenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid
CID 82093375
1-(3-methylbutyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid
CID 95453937
5-amino-1-(4-bromo-3-methylphenyl)pyrazole-3-carboxylic acid
CID 82124593
1-(3,4-dimethylphenyl)imidazole-4-carboxylic acid
CID 23444996
1-(4-methylphenyl)-5-propan-2-ylpyrazole-3-carboxylic acid
CID 22831933
1-(4-hydroxyphenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid
CID 82362040
1-(2-methylprop-2-enyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid
CID 82286953
1-(4-fluorophenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid
CID 82362057
5-butyl-1-[4-(dimethylamino)phenyl]pyrazole-3-carboxylic acid
CID 82361852
1-(4-methoxycarbonylphenyl)-5-propylpyrazole-3-carboxylic acid
CID 82361807

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(3,4-dimethylphenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid (CID 82093379) is 1-(3,4-dimethylphenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(3,4-dimethylphenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid is Cc1ccc(-n2nc(C(=O)O)cc2CC(C)C)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid?
The InChIKey is SYZKAGIFMMIGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10(2)7-14-9-15(16(19)20)17-18(14)13-6-5-11(3)12(4)8-13/h5-6,8-10H,7H2,1-4H3,(H,19,20).
What are the key properties of 1-(3,4-dimethylphenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid?
1-(3,4-dimethylphenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid has a molecular weight of 272.35 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 82093379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).