1-(3,4-dimethylphenyl)-5-propylpyrazole-4-carboxylic acid

C15H18N2O2 — CID 82361185

IUPAC1-(3,4-dimethylphenyl)-5-propylpyrazole-4-carboxylic acid
SMILESCCCc1c(C(=O)O)cnn1-c1ccc(C)c(C)c1
InChIInChI=1S/C15H18N2O2/c1-4-5-14-13(15(18)19)9-16-17(14)12-7-6-10(2)11(3)8-12/h6-9H,4-5H2,1-3H3,(H,18,19)
InChIKeyIVEPUOQWWYPUOR-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.14
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-5-propylpyrazole-4-carboxylic acid

1-(3,4-dimethylphenyl)-5-propylpyrazole-4-carboxylic acid (PubChem CID 82361185) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-5-propylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-5-propylpyrazole-4-carboxylic acid
PubChem CID82361185
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-(3,4-dimethylphenyl)-5-propylpyrazole-4-carboxylic acid
SMILESCCCc1c(C(=O)O)cnn1-c1ccc(C)c(C)c1
InChIInChI=1S/C15H18N2O2/c1-4-5-14-13(15(18)19)9-16-17(14)12-7-6-10(2)11(3)8-12/h6-9H,4-5H2,1-3H3,(H,18,19)
InChIKeyIVEPUOQWWYPUOR-UHFFFAOYSA-N
XLogP3.14
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-4-methylphenyl)-5-propylpyrazole-4-carboxylic acid
CID 82361192
1-(2-hydroxyphenyl)-5-propylpyrazole-4-carboxylic acid
CID 82361204
[1-(3-chloro-4-methylphenyl)-5-propylpyrazol-4-yl]methanol
CID 66440403
5-butyl-1-(2,6-dimethylphenyl)pyrazole-4-carboxylic acid
CID 82361240
ethyl 1-(4-methylphenyl)-5-propylpyrazole-4-carboxylate
CID 63235066
5-propyl-1-pyridin-2-ylpyrazole-4-carboxylic acid
CID 28606394
1-(5-chloro-2-hydroxyphenyl)-5-propylpyrazole-4-carboxylic acid
CID 82361205
1-(3,4-dimethylphenyl)-5-(furan-2-yl)pyrazole-4-carboxylic acid
CID 82361473
1-(3,4-dimethylphenyl)-2-ethylpyrrole-3-carboxylic acid
CID 82362599
1-(1,3-benzodioxol-5-yl)-5-ethylpyrazole-4-carboxylic acid
CID 82361143
5-amino-1-(3-chloro-4-methylphenyl)pyrazole-4-carboxylic acid
CID 79018726
1-(4-carbamoylphenyl)-5-ethylpyrazole-4-carboxylic acid
CID 82361138

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-5-propylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(3,4-dimethylphenyl)-5-propylpyrazole-4-carboxylic acid (CID 82361185) is 1-(3,4-dimethylphenyl)-5-propylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-5-propylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(3,4-dimethylphenyl)-5-propylpyrazole-4-carboxylic acid is CCCc1c(C(=O)O)cnn1-c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-5-propylpyrazole-4-carboxylic acid?
The InChIKey is IVEPUOQWWYPUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-5-14-13(15(18)19)9-16-17(14)12-7-6-10(2)11(3)8-12/h6-9H,4-5H2,1-3H3,(H,18,19).
What are the key properties of 1-(3,4-dimethylphenyl)-5-propylpyrazole-4-carboxylic acid?
1-(3,4-dimethylphenyl)-5-propylpyrazole-4-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 3.14, 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-propylpyrazole-4-carboxylic acid is sourced from PubChem (CID 82361185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).