5-propyl-1-pyridin-2-ylpyrazole-4-carboxylic acid

C12H13N3O2 — CID 28606394

IUPAC5-propyl-1-pyridin-2-ylpyrazole-4-carboxylic acid
SMILESCCCc1c(C(=O)O)cnn1-c1ccccn1
InChIInChI=1S/C12H13N3O2/c1-2-5-10-9(12(16)17)8-14-15(10)11-6-3-4-7-13-11/h3-4,6-8H,2,5H2,1H3,(H,16,17)
InChIKeyPRXNDPHZHMTTEP-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.92
Rot. Bonds4

About 5-propyl-1-pyridin-2-ylpyrazole-4-carboxylic acid

5-propyl-1-pyridin-2-ylpyrazole-4-carboxylic acid (PubChem CID 28606394) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is 5-propyl-1-pyridin-2-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-propyl-1-pyridin-2-ylpyrazole-4-carboxylic acid
PubChem CID28606394
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name5-propyl-1-pyridin-2-ylpyrazole-4-carboxylic acid
SMILESCCCc1c(C(=O)O)cnn1-c1ccccn1
InChIInChI=1S/C12H13N3O2/c1-2-5-10-9(12(16)17)8-14-15(10)11-6-3-4-7-13-11/h3-4,6-8H,2,5H2,1H3,(H,16,17)
InChIKeyPRXNDPHZHMTTEP-UHFFFAOYSA-N
XLogP1.92
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxyphenyl)-5-propylpyrazole-4-carboxylic acid
CID 82361204
5-cyclopropyl-1-pyridin-2-ylpyrazole-4-carboxylic acid
CID 28606397
(2-oxo-2-piperidin-1-ylethyl) 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55648945
1-(3,4-dimethylphenyl)-5-propylpyrazole-4-carboxylic acid
CID 82361185
4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]butanoic acid
CID 119352538
5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 10998462
5-ethyl-N-(2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944173
N-ethyl-5-methyl-N-phenyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46481510
N-butan-2-yl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793345
1-[4-(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 56522038
4-[[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]methyl]benzoic acid
CID 108793390
5-ethyl-N-[3-(methylamino)propyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 119433437

Frequently Asked Questions

What is the IUPAC name of 5-propyl-1-pyridin-2-ylpyrazole-4-carboxylic acid?
The IUPAC name of 5-propyl-1-pyridin-2-ylpyrazole-4-carboxylic acid (CID 28606394) is 5-propyl-1-pyridin-2-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-propyl-1-pyridin-2-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-propyl-1-pyridin-2-ylpyrazole-4-carboxylic acid is CCCc1c(C(=O)O)cnn1-c1ccccn1.
What is the InChIKey of 5-propyl-1-pyridin-2-ylpyrazole-4-carboxylic acid?
The InChIKey is PRXNDPHZHMTTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-2-5-10-9(12(16)17)8-14-15(10)11-6-3-4-7-13-11/h3-4,6-8H,2,5H2,1H3,(H,16,17).
What are the key properties of 5-propyl-1-pyridin-2-ylpyrazole-4-carboxylic acid?
5-propyl-1-pyridin-2-ylpyrazole-4-carboxylic acid has a molecular weight of 231.26 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-1-pyridin-2-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 28606394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).