3-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]butanoic acid

C15H23N3O3 — CID 81042606

IUPAC3-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]butanoic acid
SMILESCc1c(C(=O)N2CCCC(C(C)CC(=O)O)C2)cnn1C
InChIInChI=1S/C15H23N3O3/c1-10(7-14(19)20)12-5-4-6-18(9-12)15(21)13-8-16-17(3)11(13)2/h8,10,12H,4-7,9H2,1-3H3,(H,19,20)
InChIKeyWNRWMFGJGWLNML-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.69
Rot. Bonds4

About 3-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]butanoic acid

3-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]butanoic acid (PubChem CID 81042606) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]butanoic acid
PubChem CID81042606
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]butanoic acid
SMILESCc1c(C(=O)N2CCCC(C(C)CC(=O)O)C2)cnn1C
InChIInChI=1S/C15H23N3O3/c1-10(7-14(19)20)12-5-4-6-18(9-12)15(21)13-8-16-17(3)11(13)2/h8,10,12H,4-7,9H2,1-3H3,(H,19,20)
InChIKeyWNRWMFGJGWLNML-UHFFFAOYSA-N
XLogP1.69
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]butanoic 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-[1-(2-methylbenzoyl)piperidin-3-yl]butanoic acid
CID 81043084
(3-bromopiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone
CID 80659902
3-[1-(pyridine-4-carbonyl)piperidin-3-yl]butanoic acid
CID 81046489
[3-(2-aminoethyl)piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 63767651
3-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-3-yl]butanoic acid
CID 81043427
3-[1-(5-chlorofuran-2-carbonyl)piperidin-3-yl]butanoic acid
CID 81046996
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]butanoic acid
CID 81046487
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(1-tert-butyl-5-methylpyrazol-4-yl)methanone
CID 124591955
3-[1-(2,2-difluoroacetyl)piperidin-3-yl]butanoic acid
CID 103513401
3-[1-(5-iodothiophene-3-carbonyl)piperidin-3-yl]butanoic acid
CID 81046340
[3-(1-aminoethyl)piperidin-1-yl]-(1-benzyl-5-methylpyrazol-4-yl)methanone
CID 119596149
(5-amino-1-methylpyrazol-4-yl)-(4-propan-2-ylazepan-1-yl)methanone
CID 115330917

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]butanoic acid (CID 81042606) is 3-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]butanoic acid is Cc1c(C(=O)N2CCCC(C(C)CC(=O)O)C2)cnn1C.
What is the InChIKey of 3-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]butanoic acid?
The InChIKey is WNRWMFGJGWLNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10(7-14(19)20)12-5-4-6-18(9-12)15(21)13-8-16-17(3)11(13)2/h8,10,12H,4-7,9H2,1-3H3,(H,19,20).
What are the key properties of 3-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]butanoic acid?
3-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]butanoic acid has a molecular weight of 293.37 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]butanoic acid is sourced from PubChem (CID 81042606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).