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

C17H15N3O2 — CID 82370974

IUPAC1-(3,5-dimethylphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid
SMILESCc1cc(C)cc(-n2nc(-c3ccccn3)cc2C(=O)O)c1
InChIInChI=1S/C17H15N3O2/c1-11-7-12(2)9-13(8-11)20-16(17(21)22)10-15(19-20)14-5-3-4-6-18-14/h3-10H,1-2H3,(H,21,22)
InChIKeyPIHWRJQIJWAFRE-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.25
Rot. Bonds3

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

1-(3,5-dimethylphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid (PubChem CID 82370974) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid
PubChem CID82370974
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name1-(3,5-dimethylphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid
SMILESCc1cc(C)cc(-n2nc(-c3ccccn3)cc2C(=O)O)c1
InChIInChI=1S/C17H15N3O2/c1-11-7-12(2)9-13(8-11)20-16(17(21)22)10-15(19-20)14-5-3-4-6-18-14/h3-10H,1-2H3,(H,21,22)
InChIKeyPIHWRJQIJWAFRE-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-2-ylpyrazole-5-carboxylic acid
CID 82370949
1-(3-methoxyphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid
CID 82370915
1-prop-2-enyl-3-pyridin-2-ylpyrazole-5-carboxylic acid
CID 84761183
1-(cyanomethyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid
CID 121210717
1-(3-methylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid
CID 2381730
4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-pyridin-2-ylpyridine
CID 158258168
4-methyl-2-pyridin-2-ylpyridine
CID 11019291
3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxylic acid
CID 812159
3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carboxylic acid
CID 812110
4-methyl-2-pyridin-2-ylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium
CID 59651145
2-propyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 104617807
1-phenyl-3-pyridin-3-ylpyrazole-5-carboxylic acid
CID 82370993

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid (CID 82370974) is 1-(3,5-dimethylphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid is Cc1cc(C)cc(-n2nc(-c3ccccn3)cc2C(=O)O)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid?
The InChIKey is PIHWRJQIJWAFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-11-7-12(2)9-13(8-11)20-16(17(21)22)10-15(19-20)14-5-3-4-6-18-14/h3-10H,1-2H3,(H,21,22).
What are the key properties of 1-(3,5-dimethylphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid?
1-(3,5-dimethylphenyl)-3-pyridin-2-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-(3,5-dimethylphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid is sourced from PubChem (CID 82370974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).