3-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-3-yl]butanoic acid

C15H22N4O2 — CID 81048188

IUPAC3-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-3-yl]butanoic acid
SMILESCc1nn(C)c(N2CCCC(C(C)CC(=O)O)C2)c1C#N
InChIInChI=1S/C15H22N4O2/c1-10(7-14(20)21)12-5-4-6-19(9-12)15-13(8-16)11(2)17-18(15)3/h10,12H,4-7,9H2,1-3H3,(H,20,21)
InChIKeySLSXRNPIMJAFLW-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.93
Rot. Bonds4

About 3-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-3-yl]butanoic acid

3-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-3-yl]butanoic acid (PubChem CID 81048188) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-3-yl]butanoic acid
PubChem CID81048188
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name3-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-3-yl]butanoic acid
SMILESCc1nn(C)c(N2CCCC(C(C)CC(=O)O)C2)c1C#N
InChIInChI=1S/C15H22N4O2/c1-10(7-14(20)21)12-5-4-6-19(9-12)15-13(8-16)11(2)17-18(15)3/h10,12H,4-7,9H2,1-3H3,(H,20,21)
InChIKeySLSXRNPIMJAFLW-UHFFFAOYSA-N
XLogP1.93
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-cyano-1,3-dimethylpyrazol-5-yl)-N-methylpiperidine-3-carboxamide
CID 103195546
1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidine-4-carboxylic acid
CID 63758860
1,3-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)pyrazole-4-carbonitrile
CID 103495549
3-[1-(2-cyano-4-methylphenyl)piperidin-3-yl]butanoic acid
CID 107926723
5-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-dimethylpyrazole-4-carbonitrile
CID 106835917
3-[1-(5-cyano-2-pyridinyl)piperidin-3-yl]butanoic acid
CID 81046783
3-[4-(4-cyano-1,3-dimethylpyrazol-5-yl)piperazin-1-yl]propanoic acid
CID 63758516
1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidine-2-carboxylic acid
CID 63758170
1,3-dimethyl-5-(2-methyl-1,4-oxazepan-4-yl)pyrazole-4-carbonitrile
CID 63752329
3-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]butanoic acid
CID 81046459
1-(4-cyano-1,3-dimethylpyrazol-5-yl)-4-ethylpiperidine-4-carboxylic acid
CID 63757489
5-(3-aminoazetidin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile
CID 65249409

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-3-yl]butanoic acid (CID 81048188) is 3-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-3-yl]butanoic acid is Cc1nn(C)c(N2CCCC(C(C)CC(=O)O)C2)c1C#N.
What is the InChIKey of 3-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-3-yl]butanoic acid?
The InChIKey is SLSXRNPIMJAFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10(7-14(20)21)12-5-4-6-19(9-12)15-13(8-16)11(2)17-18(15)3/h10,12H,4-7,9H2,1-3H3,(H,20,21).
What are the key properties of 3-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-3-yl]butanoic acid?
3-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-3-yl]butanoic acid has a molecular weight of 290.37 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-3-yl]butanoic acid is sourced from PubChem (CID 81048188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).