N-(2-butylpyrazol-3-yl)piperidine-4-carboxamide

C13H22N4O — CID 119286988

IUPACN-(2-butylpyrazol-3-yl)piperidine-4-carboxamide
SMILESCCCCn1nccc1NC(=O)C1CCNCC1
InChIInChI=1S/C13H22N4O/c1-2-3-10-17-12(6-9-15-17)16-13(18)11-4-7-14-8-5-11/h6,9,11,14H,2-5,7-8,10H2,1H3,(H,16,18)
InChIKeyJBOYATUJHVUTCK-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.62
Rot. Bonds5

About N-(2-butylpyrazol-3-yl)piperidine-4-carboxamide

N-(2-butylpyrazol-3-yl)piperidine-4-carboxamide (PubChem CID 119286988) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(2-butylpyrazol-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-butylpyrazol-3-yl)piperidine-4-carboxamide
PubChem CID119286988
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-(2-butylpyrazol-3-yl)piperidine-4-carboxamide
SMILESCCCCn1nccc1NC(=O)C1CCNCC1
InChIInChI=1S/C13H22N4O/c1-2-3-10-17-12(6-9-15-17)16-13(18)11-4-7-14-8-5-11/h6,9,11,14H,2-5,7-8,10H2,1H3,(H,16,18)
InChIKeyJBOYATUJHVUTCK-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-3-carboxamide
CID 119286994
N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide;hydrochloride
CID 119268271
1-N,4-N-bis[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclohexane-1,4-dicarboxamide
CID 167816670
N-[2-(2-phenylethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 119710942
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide;hydrochloride
CID 119274816
(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
N-[2-(azetidin-3-yl)pyrazol-3-yl]piperidine-4-carboxamide
CID 165484845
(3R)-N-(2-methylpyrazol-3-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 130748052
N-(2-butylpyrazol-3-yl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 55674493
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]piperidine-4-carboxamide;hydrochloride
CID 119269137

Frequently Asked Questions

What is the IUPAC name of N-(2-butylpyrazol-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2-butylpyrazol-3-yl)piperidine-4-carboxamide (CID 119286988) is N-(2-butylpyrazol-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-butylpyrazol-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-butylpyrazol-3-yl)piperidine-4-carboxamide is CCCCn1nccc1NC(=O)C1CCNCC1.
What is the InChIKey of N-(2-butylpyrazol-3-yl)piperidine-4-carboxamide?
The InChIKey is JBOYATUJHVUTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-3-10-17-12(6-9-15-17)16-13(18)11-4-7-14-8-5-11/h6,9,11,14H,2-5,7-8,10H2,1H3,(H,16,18).
What are the key properties of N-(2-butylpyrazol-3-yl)piperidine-4-carboxamide?
N-(2-butylpyrazol-3-yl)piperidine-4-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-4-carboxamide is sourced from PubChem (CID 119286988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).