5-(5-methyl-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylic acid

C15H12N4O2 — CID 23143661

IUPAC5-(5-methyl-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)nn2-c2ccccn2)nc1
InChIInChI=1S/C15H12N4O2/c1-10-5-6-11(17-9-10)13-8-12(15(20)21)18-19(13)14-4-2-3-7-16-14/h2-9H,1H3,(H,20,21)
InChIKeyDQNLJOZCKVEEST-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.34
Rot. Bonds3

About 5-(5-methyl-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylic acid

5-(5-methyl-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylic acid (PubChem CID 23143661) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 5-(5-methyl-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-methyl-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylic acid
PubChem CID23143661
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name5-(5-methyl-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)nn2-c2ccccn2)nc1
InChIInChI=1S/C15H12N4O2/c1-10-5-6-11(17-9-10)13-8-12(15(20)21)18-19(13)14-4-2-3-7-16-14/h2-9H,1H3,(H,20,21)
InChIKeyDQNLJOZCKVEEST-UHFFFAOYSA-N
XLogP2.34
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-phenylmethoxy-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylic acid
CID 141118128
ethyl 5-(5-phenylmethoxy-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylate
CID 23143493
ethyl 5-(5-methyl-2-pyridinyl)-1-pyrimidin-2-ylpyrazole-3-carboxylate
CID 23143582
1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylic acid
CID 23090192
4-butyl-5-(5-methyl-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxamide
CID 175246276
1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carboxylic acid
CID 23090500
1-(3-chlorophenyl)-5-pyridin-2-ylpyrazole-3-carboxylic acid
CID 62815168
1-(3-bromophenyl)-5-pyridin-2-ylpyrazole-3-carboxylic acid
CID 62815342
1-(5-propan-2-yl-1-pyridin-2-ylpyrazol-3-yl)ethanone
CID 170580254
1-(6-methoxypyridazin-3-yl)-5-(5-methylpyrazin-2-yl)pyrazole-3-carboxylic acid
CID 23143549
1-(4-methylphenyl)-5-phenylpyrazole-3-carboxylic acid
CID 750183
5-(4-methyl-2-pyridinyl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxylic acid
CID 59003597

Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylic acid?
The IUPAC name of 5-(5-methyl-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylic acid (CID 23143661) is 5-(5-methyl-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(5-methyl-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-(5-methyl-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylic acid is Cc1ccc(-c2cc(C(=O)O)nn2-c2ccccn2)nc1.
What is the InChIKey of 5-(5-methyl-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylic acid?
The InChIKey is DQNLJOZCKVEEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c1-10-5-6-11(17-9-10)13-8-12(15(20)21)18-19(13)14-4-2-3-7-16-14/h2-9H,1H3,(H,20,21).
What are the key properties of 5-(5-methyl-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylic acid?
5-(5-methyl-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylic acid has a molecular weight of 280.29 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylic acid is sourced from PubChem (CID 23143661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).