2-butyl-N-(1H-pyrazol-4-yl)hexanamide

C13H23N3O — CID 139359464

IUPAC2-butyl-N-(1H-pyrazol-4-yl)hexanamide
SMILESCCCCC(CCCC)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C13H23N3O/c1-3-5-7-11(8-6-4-2)13(17)16-12-9-14-15-10-12/h9-11H,3-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyJBMDISUTEFAPBM-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.34
Rot. Bonds8

About 2-butyl-N-(1H-pyrazol-4-yl)hexanamide

2-butyl-N-(1H-pyrazol-4-yl)hexanamide (PubChem CID 139359464) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-butyl-N-(1H-pyrazol-4-yl)hexanamide.

Molecular Properties

Compound Name2-butyl-N-(1H-pyrazol-4-yl)hexanamide
PubChem CID139359464
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-butyl-N-(1H-pyrazol-4-yl)hexanamide
SMILESCCCCC(CCCC)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C13H23N3O/c1-3-5-7-11(8-6-4-2)13(17)16-12-9-14-15-10-12/h9-11H,3-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyJBMDISUTEFAPBM-UHFFFAOYSA-N
XLogP3.34
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide hydrochloride
CID 165469821
2-(2-bicyclo[2.2.1]heptanyl)-N-(1H-pyrazol-4-yl)acetamide
CID 43429525
3-amino-2-methyl-N-(1H-pyrazol-4-yl)propanamide
CID 54592830
4-methyl-2-(2-oxopiperidin-1-yl)-N-(1H-pyrazol-4-yl)pentanamide
CID 71972608
N-(1H-pyrazol-4-yl)cyclohexanecarboxamide
CID 43429406
N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 60506980
1-amino-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide
CID 81179351
N-(1H-pyrazol-4-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932742
4,4-difluoro-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide
CID 81932743
N-(1H-pyrazol-4-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 112686196
trans-(1R,2R)-N-(1H-pyrazol-4-yl)-2-(trifluoromethyl)cyclopropane-1-carboxamide
CID 126793656
3-fluoro-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide
CID 126794159

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-(1H-pyrazol-4-yl)hexanamide?
The IUPAC name of 2-butyl-N-(1H-pyrazol-4-yl)hexanamide (CID 139359464) is 2-butyl-N-(1H-pyrazol-4-yl)hexanamide.
What is the SMILES notation for 2-butyl-N-(1H-pyrazol-4-yl)hexanamide?
The canonical SMILES for 2-butyl-N-(1H-pyrazol-4-yl)hexanamide is CCCCC(CCCC)C(=O)Nc1cn[nH]c1.
What is the InChIKey of 2-butyl-N-(1H-pyrazol-4-yl)hexanamide?
The InChIKey is JBMDISUTEFAPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-5-7-11(8-6-4-2)13(17)16-12-9-14-15-10-12/h9-11H,3-8H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-butyl-N-(1H-pyrazol-4-yl)hexanamide?
2-butyl-N-(1H-pyrazol-4-yl)hexanamide has a molecular weight of 237.35 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-(1H-pyrazol-4-yl)hexanamide is sourced from PubChem (CID 139359464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).