1-(5-ethyl-1H-pyrazol-4-yl)piperidine-4-carboxylic acid

C11H17N3O2 — CID 165469091

IUPAC1-(5-ethyl-1H-pyrazol-4-yl)piperidine-4-carboxylic acid
SMILESCCc1[nH]ncc1N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H17N3O2/c1-2-9-10(7-12-13-9)14-5-3-8(4-6-14)11(15)16/h7-8H,2-6H2,1H3,(H,12,13)(H,15,16)
InChIKeyBICAJXAWLJZUAC-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.27
Rot. Bonds3

About 1-(5-ethyl-1H-pyrazol-4-yl)piperidine-4-carboxylic acid

1-(5-ethyl-1H-pyrazol-4-yl)piperidine-4-carboxylic acid (PubChem CID 165469091) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(5-ethyl-1H-pyrazol-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-ethyl-1H-pyrazol-4-yl)piperidine-4-carboxylic acid
PubChem CID165469091
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-(5-ethyl-1H-pyrazol-4-yl)piperidine-4-carboxylic acid
SMILESCCc1[nH]ncc1N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H17N3O2/c1-2-9-10(7-12-13-9)14-5-3-8(4-6-14)11(15)16/h7-8H,2-6H2,1H3,(H,12,13)(H,15,16)
InChIKeyBICAJXAWLJZUAC-UHFFFAOYSA-N
XLogP1.27
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-amino-1H-pyrazol-4-yl)piperidine-4-carboxamide
CID 82234902
1-(1H-1,2,4-triazol-5-yl)piperidine-4-carboxylic acid
CID 175941720
1-(1H-pyrazol-4-yl)piperidine-4-carboxylic acid
CID 82647068
1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 84818655
(4-piperidin-1-yl-1H-pyrazol-5-yl)methanamine
CID 83618685
1-(2-cyano-4-ethylphenyl)piperidine-4-carboxylic acid
CID 134499367
ethyl 1-(3-oxo-2H-1,2,4-triazin-5-yl)piperidine-4-carboxylate
CID 9124455
1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid
CID 65273603
1-(4-amino-2-methylphenyl)piperidine-4-carboxylic acid
CID 69043416
1-[(5-pyrrol-1-yl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxylic acid
CID 53212723
1-(2-carboxyphenyl)piperidine-4-carboxylic acid
CID 82537864
1-(2-ethyl-5,6-dimethylpyrimidin-4-yl)piperidine-4-carboxylic acid
CID 94075608

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1H-pyrazol-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(5-ethyl-1H-pyrazol-4-yl)piperidine-4-carboxylic acid (CID 165469091) is 1-(5-ethyl-1H-pyrazol-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-ethyl-1H-pyrazol-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-ethyl-1H-pyrazol-4-yl)piperidine-4-carboxylic acid is CCc1[nH]ncc1N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(5-ethyl-1H-pyrazol-4-yl)piperidine-4-carboxylic acid?
The InChIKey is BICAJXAWLJZUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-9-10(7-12-13-9)14-5-3-8(4-6-14)11(15)16/h7-8H,2-6H2,1H3,(H,12,13)(H,15,16).
What are the key properties of 1-(5-ethyl-1H-pyrazol-4-yl)piperidine-4-carboxylic acid?
1-(5-ethyl-1H-pyrazol-4-yl)piperidine-4-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1H-pyrazol-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 165469091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).