5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazole-3-carboxylic acid

C12H19N3O2 — CID 115092280

IUPAC5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazole-3-carboxylic acid
SMILESCC(C)N1CCC(c2cc(C(=O)O)n[nH]2)CC1
InChIInChI=1S/C12H19N3O2/c1-8(2)15-5-3-9(4-6-15)10-7-11(12(16)17)14-13-10/h7-9H,3-6H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyZQCPLWIRYZQNGT-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.70
Rot. Bonds3

About 5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazole-3-carboxylic acid

5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazole-3-carboxylic acid (PubChem CID 115092280) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazole-3-carboxylic acid
PubChem CID115092280
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazole-3-carboxylic acid
SMILESCC(C)N1CCC(c2cc(C(=O)O)n[nH]2)CC1
InChIInChI=1S/C12H19N3O2/c1-8(2)15-5-3-9(4-6-15)10-7-11(12(16)17)14-13-10/h7-9H,3-6H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyZQCPLWIRYZQNGT-UHFFFAOYSA-N
XLogP1.70
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1-ethylpiperidin-4-yl)-1H-pyrazole-3-carboxylic acid
CID 115092279
5-(1-methylpyrrolidin-3-yl)-1H-pyrazole-3-carboxylic acid
CID 115020200
5-piperidin-4-yl-1H-pyrazole-3-carboxylic acid
CID 83409074
1-[5-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-3-yl]ethanone
CID 115092508
5-[1-[bis(prop-2-enyl)carbamoyl]piperidin-4-yl]-1H-pyrazole-3-carboxylic acid
CID 166290612
5-cyclopentyl-1H-pyrazole-3-carboxylic acid;ethyl 5-cyclopentyl-1H-pyrazole-3-carboxylate
CID 162018519
5-[1-(2-cyclopropylmorpholine-4-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylic acid
CID 166290611
5-[1-(2-phenoxypropanoyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide
CID 91628861
5-cyclopropyl-N-(1-cyclopropylethyl)-1H-pyrazole-3-carboxamide
CID 47158112
5-cyclopropyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1H-pyrazole-3-carboxamide
CID 60552154
5-cyclopropyl-N-(1-hydroxypropan-2-yl)-1H-pyrazole-3-carboxamide
CID 146085389
[2-(1-aminoethyl)piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 119434902

Frequently Asked Questions

What is the IUPAC name of 5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazole-3-carboxylic acid (CID 115092280) is 5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazole-3-carboxylic acid is CC(C)N1CCC(c2cc(C(=O)O)n[nH]2)CC1.
What is the InChIKey of 5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazole-3-carboxylic acid?
The InChIKey is ZQCPLWIRYZQNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(2)15-5-3-9(4-6-15)10-7-11(12(16)17)14-13-10/h7-9H,3-6H2,1-2H3,(H,13,14)(H,16,17).
What are the key properties of 5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazole-3-carboxylic acid?
5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazole-3-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 115092280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).