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

C16H20N2O2 — CID 82361395

IUPAC1-(2,5-dimethylphenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid
SMILESCc1ccc(C)c(-n2ncc(C(=O)O)c2CC(C)C)c1
InChIInChI=1S/C16H20N2O2/c1-10(2)7-15-13(16(19)20)9-17-18(15)14-8-11(3)5-6-12(14)4/h5-6,8-10H,7H2,1-4H3,(H,19,20)
InChIKeyRCYFOBPSFQXGPK-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.39
Rot. Bonds4

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

1-(2,5-dimethylphenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid (PubChem CID 82361395) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid
PubChem CID82361395
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-(2,5-dimethylphenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid
SMILESCc1ccc(C)c(-n2ncc(C(=O)O)c2CC(C)C)c1
InChIInChI=1S/C16H20N2O2/c1-10(2)7-15-13(16(19)20)9-17-18(15)14-8-11(3)5-6-12(14)4/h5-6,8-10H,7H2,1-4H3,(H,19,20)
InChIKeyRCYFOBPSFQXGPK-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-hydroxyphenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid
CID 82361421
1-(2-cyanophenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid
CID 82361413
1-(2-hydroxy-4-methylphenyl)-5-propylpyrazole-4-carboxylic acid
CID 82361192
[2-(2,5-dimethylphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-morpholin-4-ylmethanone
CID 50961022
5-amino-1-(2-hydroxy-4-methylphenyl)pyrazole-4-carboxylic acid
CID 82365343
5-[(2,5-dimethylanilino)methyl]-1-methylpyrazole-4-carboxylic acid
CID 116630697
1-(2,5-dimethylphenyl)-5-methyl-N-methylsulfonylpyrazole-4-carboxamide
CID 146154766
2-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]amino]propanamide
CID 86802649
1-(4-hydroxy-2-methylphenyl)-5-(methoxymethyl)pyrazole-4-carboxylic acid
CID 82361555
5-ethyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid
CID 82361158
1-(3,4-dimethylphenyl)-5-propylpyrazole-4-carboxylic acid
CID 82361185
[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone
CID 138031620

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(2,5-dimethylphenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid (CID 82361395) is 1-(2,5-dimethylphenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(2,5-dimethylphenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid is Cc1ccc(C)c(-n2ncc(C(=O)O)c2CC(C)C)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid?
The InChIKey is RCYFOBPSFQXGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10(2)7-15-13(16(19)20)9-17-18(15)14-8-11(3)5-6-12(14)4/h5-6,8-10H,7H2,1-4H3,(H,19,20).
What are the key properties of 1-(2,5-dimethylphenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid?
1-(2,5-dimethylphenyl)-5-(2-methylpropyl)pyrazole-4-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-(2,5-dimethylphenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 82361395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).