5-methyl-1-(1-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid

C14H21N3O3 — CID 122117281

IUPAC5-methyl-1-(1-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)c2cnn(C(C)C)c2)C1
InChIInChI=1S/C14H21N3O3/c1-9(2)17-8-12(5-15-17)13(18)16-6-10(3)4-11(7-16)14(19)20/h5,8-11H,4,6-7H2,1-3H3,(H,19,20)
InChIKeySULBQBHMXNIFMC-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.65
Rot. Bonds3

About 5-methyl-1-(1-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid

5-methyl-1-(1-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid (PubChem CID 122117281) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-methyl-1-(1-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-(1-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
PubChem CID122117281
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name5-methyl-1-(1-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)c2cnn(C(C)C)c2)C1
InChIInChI=1S/C14H21N3O3/c1-9(2)17-8-12(5-15-17)13(18)16-6-10(3)4-11(7-16)14(19)20/h5,8-11H,4,6-7H2,1-3H3,(H,19,20)
InChIKeySULBQBHMXNIFMC-UHFFFAOYSA-N
XLogP1.65
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-1-(1-propan-2-ylpyrazole-4-carbonyl)piperidine-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

(3R,4S)-4-(4-fluorophenyl)-1-(1-propan-2-ylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 16674834
1-[1-[(4-methoxyphenyl)methyl]pyrazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122118368
1-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19622428
2-[4-(3-methylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid
CID 19622063
5-methyl-1-(4-methylsulfanylbenzoyl)piperidine-3-carboxylic acid
CID 122119170
1-(3,4-dimethylbenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119496
5-methyl-1-[5-methyl-1-(3-methylbutyl)pyrazole-4-carbonyl]piperidine-3-carboxylic acid
CID 122117136
1-[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122117087
1-(5-iodothiophene-3-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118299
1-(3-fluoro-5-methylbenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122118872
1-(azepan-1-yl)-2-[4-(1-propan-2-ylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 137340124
[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 70715204

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(1-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-(1-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid (CID 122117281) is 5-methyl-1-(1-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-(1-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-(1-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)c2cnn(C(C)C)c2)C1.
What is the InChIKey of 5-methyl-1-(1-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is SULBQBHMXNIFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9(2)17-8-12(5-15-17)13(18)16-6-10(3)4-11(7-16)14(19)20/h5,8-11H,4,6-7H2,1-3H3,(H,19,20).
What are the key properties of 5-methyl-1-(1-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid?
5-methyl-1-(1-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(1-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122117281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).