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

C16H20N2O2 — CID 43328624

IUPAC3-(2,5-dimethylphenyl)-1-(2-methylpropyl)pyrazole-4-carboxylic acid
SMILESCc1ccc(C)c(-c2nn(CC(C)C)cc2C(=O)O)c1
InChIInChI=1S/C16H20N2O2/c1-10(2)8-18-9-14(16(19)20)15(17-18)13-7-11(3)5-6-12(13)4/h5-7,9-10H,8H2,1-4H3,(H,19,20)
InChIKeyJPCWTHKJCPGVSO-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.52
Rot. Bonds4

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

3-(2,5-dimethylphenyl)-1-(2-methylpropyl)pyrazole-4-carboxylic acid (PubChem CID 43328624) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-(2,5-dimethylphenyl)-1-(2-methylpropyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(2,5-dimethylphenyl)-1-(2-methylpropyl)pyrazole-4-carboxylic acid
PubChem CID43328624
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-(2,5-dimethylphenyl)-1-(2-methylpropyl)pyrazole-4-carboxylic acid
SMILESCc1ccc(C)c(-c2nn(CC(C)C)cc2C(=O)O)c1
InChIInChI=1S/C16H20N2O2/c1-10(2)8-18-9-14(16(19)20)15(17-18)13-7-11(3)5-6-12(13)4/h5-7,9-10H,8H2,1-4H3,(H,19,20)
InChIKeyJPCWTHKJCPGVSO-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,5-dimethylphenyl)-1-methylpyrazole-4-carboxylic acid
CID 43141377
3-(2,5-dimethylphenyl)-N-methyl-1-(2-methylpropyl)pyrazol-4-amine
CID 134594126
3-(4-bromo-2-chlorophenyl)-1-(2-methylpropyl)pyrazole-4-carboxylic acid
CID 82774432
3-(4-bromo-2-fluorophenyl)-1-(2-methylpropyl)pyrazole-4-carboxylic acid
CID 82970535
3-(5-methylfuran-2-yl)-1-(2-methylpropyl)pyrazole-4-carboxylic acid
CID 43145858
1-(2-methylpropyl)-3-(4-nitrophenyl)pyrazole-4-carboxylic acid
CID 43145864
3-(3-cyanophenyl)-1-(2-methylpropyl)pyrazole-4-carboxylic acid
CID 63991922
5-(2,5-dimethylphenyl)-1-methyl-2-propan-2-ylpyrrole-3-carboxylic acid
CID 82093263
1-ethyl-3-(3-methylphenyl)pyrazole-4-carboxylic acid
CID 20848730
5-(2,5-dimethylphenyl)-2,4-dimethylbenzoic acid
CID 107515552
4-(2,5-dimethylphenyl)-2-fluorobenzoic acid
CID 53211178
3-amino-2-(2,5-dimethylphenyl)imidazo[1,2-a]pyridine-8-carboxylic acid
CID 82355928

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenyl)-1-(2-methylpropyl)pyrazole-4-carboxylic acid?
The IUPAC name of 3-(2,5-dimethylphenyl)-1-(2-methylpropyl)pyrazole-4-carboxylic acid (CID 43328624) is 3-(2,5-dimethylphenyl)-1-(2-methylpropyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 3-(2,5-dimethylphenyl)-1-(2-methylpropyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 3-(2,5-dimethylphenyl)-1-(2-methylpropyl)pyrazole-4-carboxylic acid is Cc1ccc(C)c(-c2nn(CC(C)C)cc2C(=O)O)c1.
What is the InChIKey of 3-(2,5-dimethylphenyl)-1-(2-methylpropyl)pyrazole-4-carboxylic acid?
The InChIKey is JPCWTHKJCPGVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10(2)8-18-9-14(16(19)20)15(17-18)13-7-11(3)5-6-12(13)4/h5-7,9-10H,8H2,1-4H3,(H,19,20).
What are the key properties of 3-(2,5-dimethylphenyl)-1-(2-methylpropyl)pyrazole-4-carboxylic acid?
3-(2,5-dimethylphenyl)-1-(2-methylpropyl)pyrazole-4-carboxylic acid has a molecular weight of 272.35 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenyl)-1-(2-methylpropyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 43328624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).