N-[4-(3-methylpiperidin-1-yl)butyl]-1H-pyrazole-5-carboxamide

C14H24N4O — CID 56818106

IUPACN-[4-(3-methylpiperidin-1-yl)butyl]-1H-pyrazole-5-carboxamide
SMILESCC1CCCN(CCCCNC(=O)c2ccn[nH]2)C1
InChIInChI=1S/C14H24N4O/c1-12-5-4-10-18(11-12)9-3-2-7-15-14(19)13-6-8-16-17-13/h6,8,12H,2-5,7,9-11H2,1H3,(H,15,19)(H,16,17)
InChIKeyAYMSNYJOTOQDTP-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.65
Rot. Bonds6

About N-[4-(3-methylpiperidin-1-yl)butyl]-1H-pyrazole-5-carboxamide

N-[4-(3-methylpiperidin-1-yl)butyl]-1H-pyrazole-5-carboxamide (PubChem CID 56818106) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[4-(3-methylpiperidin-1-yl)butyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methylpiperidin-1-yl)butyl]-1H-pyrazole-5-carboxamide
PubChem CID56818106
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-[4-(3-methylpiperidin-1-yl)butyl]-1H-pyrazole-5-carboxamide
SMILESCC1CCCN(CCCCNC(=O)c2ccn[nH]2)C1
InChIInChI=1S/C14H24N4O/c1-12-5-4-10-18(11-12)9-3-2-7-15-14(19)13-6-8-16-17-13/h6,8,12H,2-5,7,9-11H2,1H3,(H,15,19)(H,16,17)
InChIKeyAYMSNYJOTOQDTP-UHFFFAOYSA-N
XLogP1.65
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-1H-pyrazole-5-carboxamide
CID 94823486
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-1H-pyrazole-5-carboxamide
CID 95281410
N-[4-(3-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115800
3,4-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 133264409
3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119693
N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 94115500
1-tert-butyl-N-[4-[(3R)-3-methylpiperidin-1-yl]butyl]pyrazole-4-carboxamide
CID 94836244
1-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]butyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 94467076
2,2-difluoro-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]acetamide
CID 100701582
3-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide
CID 47035917
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022373
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022375

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylpiperidin-1-yl)butyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-(3-methylpiperidin-1-yl)butyl]-1H-pyrazole-5-carboxamide (CID 56818106) is N-[4-(3-methylpiperidin-1-yl)butyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-(3-methylpiperidin-1-yl)butyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-(3-methylpiperidin-1-yl)butyl]-1H-pyrazole-5-carboxamide is CC1CCCN(CCCCNC(=O)c2ccn[nH]2)C1.
What is the InChIKey of N-[4-(3-methylpiperidin-1-yl)butyl]-1H-pyrazole-5-carboxamide?
The InChIKey is AYMSNYJOTOQDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-12-5-4-10-18(11-12)9-3-2-7-15-14(19)13-6-8-16-17-13/h6,8,12H,2-5,7,9-11H2,1H3,(H,15,19)(H,16,17).
What are the key properties of N-[4-(3-methylpiperidin-1-yl)butyl]-1H-pyrazole-5-carboxamide?
N-[4-(3-methylpiperidin-1-yl)butyl]-1H-pyrazole-5-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylpiperidin-1-yl)butyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 56818106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).