1-(2-methylpyrazole-3-carbonyl)-4-propylpiperidine-4-carboxylic acid

C14H21N3O3 — CID 63125678

IUPAC1-(2-methylpyrazole-3-carbonyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)c2ccnn2C)CC1
InChIInChI=1S/C14H21N3O3/c1-3-5-14(13(19)20)6-9-17(10-7-14)12(18)11-4-8-15-16(11)2/h4,8H,3,5-7,9-10H2,1-2H3,(H,19,20)
InChIKeyLCWIWSLUCAKUCL-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.53
Rot. Bonds4

About 1-(2-methylpyrazole-3-carbonyl)-4-propylpiperidine-4-carboxylic acid

1-(2-methylpyrazole-3-carbonyl)-4-propylpiperidine-4-carboxylic acid (PubChem CID 63125678) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(2-methylpyrazole-3-carbonyl)-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylpyrazole-3-carbonyl)-4-propylpiperidine-4-carboxylic acid
PubChem CID63125678
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-(2-methylpyrazole-3-carbonyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)c2ccnn2C)CC1
InChIInChI=1S/C14H21N3O3/c1-3-5-14(13(19)20)6-9-17(10-7-14)12(18)11-4-8-15-16(11)2/h4,8H,3,5-7,9-10H2,1-2H3,(H,19,20)
InChIKeyLCWIWSLUCAKUCL-UHFFFAOYSA-N
XLogP1.53
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-methylpyrazole-3-carbonyl)-4-propylpiperidine-4-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

3-ethyl-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 63134182
1-(1-ethylpyrrole-2-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63125677
1-[(2-methylpyrazol-3-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid
CID 65068464
1-(4-hydroxybenzoyl)-4-propylpiperidine-4-carboxylic acid
CID 63125102
1-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 110467110
1-(5-bromofuran-2-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63125093
1-acetyl-4-propylpiperidine-4-carboxylic acid
CID 63125183
4-propylpiperidine-1,4-dicarboxylic acid
CID 91190681
4-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 63125245
1-(5-bromopyridine-2-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63125731
1-(2-methylpyrazole-3-carbonyl)-4-phenylpiperidine-4-carbonitrile
CID 74239752
2-azaspiro[4.5]decan-2-yl-(2-methylpyrazol-3-yl)methanone
CID 71873410

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazole-3-carbonyl)-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(2-methylpyrazole-3-carbonyl)-4-propylpiperidine-4-carboxylic acid (CID 63125678) is 1-(2-methylpyrazole-3-carbonyl)-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-methylpyrazole-3-carbonyl)-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-methylpyrazole-3-carbonyl)-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)c2ccnn2C)CC1.
What is the InChIKey of 1-(2-methylpyrazole-3-carbonyl)-4-propylpiperidine-4-carboxylic acid?
The InChIKey is LCWIWSLUCAKUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-5-14(13(19)20)6-9-17(10-7-14)12(18)11-4-8-15-16(11)2/h4,8H,3,5-7,9-10H2,1-2H3,(H,19,20).
What are the key properties of 1-(2-methylpyrazole-3-carbonyl)-4-propylpiperidine-4-carboxylic acid?
1-(2-methylpyrazole-3-carbonyl)-4-propylpiperidine-4-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazole-3-carbonyl)-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63125678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).