N-(2-butylpyrazol-3-yl)piperidine-3-carboxamide

C13H22N4O — CID 119286994

IUPACN-(2-butylpyrazol-3-yl)piperidine-3-carboxamide
SMILESCCCCn1nccc1NC(=O)C1CCCNC1
InChIInChI=1S/C13H22N4O/c1-2-3-9-17-12(6-8-15-17)16-13(18)11-5-4-7-14-10-11/h6,8,11,14H,2-5,7,9-10H2,1H3,(H,16,18)
InChIKeyHUFNRBJIUIUKAJ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.62
Rot. Bonds5

About N-(2-butylpyrazol-3-yl)piperidine-3-carboxamide

N-(2-butylpyrazol-3-yl)piperidine-3-carboxamide (PubChem CID 119286994) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(2-butylpyrazol-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-butylpyrazol-3-yl)piperidine-3-carboxamide
PubChem CID119286994
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-(2-butylpyrazol-3-yl)piperidine-3-carboxamide
SMILESCCCCn1nccc1NC(=O)C1CCCNC1
InChIInChI=1S/C13H22N4O/c1-2-3-9-17-12(6-8-15-17)16-13(18)11-5-4-7-14-10-11/h6,8,11,14H,2-5,7,9-10H2,1H3,(H,16,18)
InChIKeyHUFNRBJIUIUKAJ-UHFFFAOYSA-N
XLogP1.62
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-butylpyrazol-3-yl)piperidine-4-carboxamide
CID 119286988
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride
CID 119274820
N-[2-(2-phenylethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 119710942
N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide
CID 119321823
(3R)-N-(2-methylpyrazol-3-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 130748052
N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride
CID 119346019
(1R)-N-(2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide
CID 38995892
N-(2-butylpyrazol-3-yl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55674367
N-(2-butylpyrazol-3-yl)-2-chloroacetamide
CID 50987917
(3R)-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)piperidine-3-carboxamide
CID 138001539
1-N,4-N-bis[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclohexane-1,4-dicarboxamide
CID 167816670
(3R)-N-[2-(azetidin-3-yl)pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 165482654

Frequently Asked Questions

What is the IUPAC name of N-(2-butylpyrazol-3-yl)piperidine-3-carboxamide?
The IUPAC name of N-(2-butylpyrazol-3-yl)piperidine-3-carboxamide (CID 119286994) is N-(2-butylpyrazol-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-butylpyrazol-3-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-butylpyrazol-3-yl)piperidine-3-carboxamide is CCCCn1nccc1NC(=O)C1CCCNC1.
What is the InChIKey of N-(2-butylpyrazol-3-yl)piperidine-3-carboxamide?
The InChIKey is HUFNRBJIUIUKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-3-9-17-12(6-8-15-17)16-13(18)11-5-4-7-14-10-11/h6,8,11,14H,2-5,7,9-10H2,1H3,(H,16,18).
What are the key properties of N-(2-butylpyrazol-3-yl)piperidine-3-carboxamide?
N-(2-butylpyrazol-3-yl)piperidine-3-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butylpyrazol-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 119286994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).