1-(2,5-dimethylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid

C17H15N3O2 — CID 82370874

IUPAC1-(2,5-dimethylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid
SMILESCc1ccc(C)c(-n2nc(-c3cccnc3)cc2C(=O)O)c1
InChIInChI=1S/C17H15N3O2/c1-11-5-6-12(2)15(8-11)20-16(17(21)22)9-14(19-20)13-4-3-7-18-10-13/h3-10H,1-2H3,(H,21,22)
InChIKeyVOTOHRVMTBKPFC-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.25
Rot. Bonds3

About 1-(2,5-dimethylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid

1-(2,5-dimethylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid (PubChem CID 82370874) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid
PubChem CID82370874
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name1-(2,5-dimethylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid
SMILESCc1ccc(C)c(-n2nc(-c3cccnc3)cc2C(=O)O)c1
InChIInChI=1S/C17H15N3O2/c1-11-5-6-12(2)15(8-11)20-16(17(21)22)9-14(19-20)13-4-3-7-18-10-13/h3-10H,1-2H3,(H,21,22)
InChIKeyVOTOHRVMTBKPFC-UHFFFAOYSA-N
XLogP3.25
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid
CID 2381730
1-phenyl-3-pyridin-3-ylpyrazole-5-carboxylic acid
CID 82370993
1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 42755274
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(2,5-dimethylphenyl)-3-phenylpyrazol-5-yl]methanone
CID 7265359
1-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-phenylpyrazole-5-carboxamide
CID 42754711
N-(2-cyanoethyl)-1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 42755412
1-(2,5-dimethylphenyl)-N-ethoxy-3-(3-methoxyphenyl)pyrazole-5-carboxamide
CID 42755570
1-(2-fluoroethyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid
CID 121210795
[1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 4320538
1-(2,5-dimethylphenyl)-3-pyridin-3-ylpyrazol-4-amine
CID 83216124
N-benzyl-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 42662450
N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethylphenyl)-3-phenylpyrazole-5-carboxamide
CID 42754707

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid (CID 82370874) is 1-(2,5-dimethylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid is Cc1ccc(C)c(-n2nc(-c3cccnc3)cc2C(=O)O)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid?
The InChIKey is VOTOHRVMTBKPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-11-5-6-12(2)15(8-11)20-16(17(21)22)9-14(19-20)13-4-3-7-18-10-13/h3-10H,1-2H3,(H,21,22).
What are the key properties of 1-(2,5-dimethylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid?
1-(2,5-dimethylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid has a molecular weight of 293.33 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid is sourced from PubChem (CID 82370874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).