3-methyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxylic acid

C11H15N3O3 — CID 63134382

IUPAC3-methyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)c2cn[nH]c2)C1
InChIInChI=1S/C11H15N3O3/c1-11(10(16)17)3-2-4-14(7-11)9(15)8-5-12-13-6-8/h5-6H,2-4,7H2,1H3,(H,12,13)(H,16,17)
InChIKeyVLLDZWXOWUUGJD-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.74
Rot. Bonds2

About 3-methyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxylic acid

3-methyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxylic acid (PubChem CID 63134382) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-methyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxylic acid
PubChem CID63134382
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-methyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)c2cn[nH]c2)C1
InChIInChI=1S/C11H15N3O3/c1-11(10(16)17)3-2-4-14(7-11)9(15)8-5-12-13-6-8/h5-6H,2-4,7H2,1H3,(H,12,13)(H,16,17)
InChIKeyVLLDZWXOWUUGJD-UHFFFAOYSA-N
XLogP0.74
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

azetidin-1-yl(1H-pyrazol-4-yl)methanone
CID 130157927
1-(4-hydroxybenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 55166833
[9-(1H-pyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyridin-4-ylmethanone
CID 167940871
1-(5-fluoropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 113452823
[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1H-pyrazol-4-yl)methanone
CID 164688862
1-(6-chloropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 63134102
1-(4-chlorobenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 55167027
1-(furan-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 63133574
3-methyl-1-(3,4,5-trifluorobenzoyl)piperidine-3-carboxylic acid
CID 63187130
3-methyl-1-(4-nitro-1H-pyrrole-2-carbonyl)piperidine-3-carboxylic acid
CID 63133663
1-[4-(dimethylamino)benzoyl]-3-methylpiperidine-3-carboxylic acid
CID 63133492
1-(5-bromothiophene-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 55165489

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxylic acid (CID 63134382) is 3-methyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(C(=O)c2cn[nH]c2)C1.
What is the InChIKey of 3-methyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is VLLDZWXOWUUGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-11(10(16)17)3-2-4-14(7-11)9(15)8-5-12-13-6-8/h5-6H,2-4,7H2,1H3,(H,12,13)(H,16,17).
What are the key properties of 3-methyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxylic acid?
3-methyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 63134382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).