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

C10H17N3O — CID 142236469

IUPAC2-methyl-N-(1H-pyrazol-4-yl)hexanamide
SMILESCCCCC(C)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C10H17N3O/c1-3-4-5-8(2)10(14)13-9-6-11-12-7-9/h6-8H,3-5H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyJFYJNJQYPXDYLS-UHFFFAOYSA-N
MW195.27 g/mol
LogP2.17
Rot. Bonds5

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

2-methyl-N-(1H-pyrazol-4-yl)hexanamide (PubChem CID 142236469) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-methyl-N-(1H-pyrazol-4-yl)hexanamide.

Molecular Properties

Compound Name2-methyl-N-(1H-pyrazol-4-yl)hexanamide
PubChem CID142236469
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-methyl-N-(1H-pyrazol-4-yl)hexanamide
SMILESCCCCC(C)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C10H17N3O/c1-3-4-5-8(2)10(14)13-9-6-11-12-7-9/h6-8H,3-5H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyJFYJNJQYPXDYLS-UHFFFAOYSA-N
XLogP2.17
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 52.17
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
N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 63006229
4-methyl-2-(2-oxopiperidin-1-yl)-N-(1H-pyrazol-4-yl)pentanamide
CID 71972608
3,3-difluoro-2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide
CID 126789290
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1H-pyrazol-4-yl)hexanamide?
The IUPAC name of 2-methyl-N-(1H-pyrazol-4-yl)hexanamide (CID 142236469) is 2-methyl-N-(1H-pyrazol-4-yl)hexanamide.
What is the SMILES notation for 2-methyl-N-(1H-pyrazol-4-yl)hexanamide?
The canonical SMILES for 2-methyl-N-(1H-pyrazol-4-yl)hexanamide is CCCCC(C)C(=O)Nc1cn[nH]c1.
What is the InChIKey of 2-methyl-N-(1H-pyrazol-4-yl)hexanamide?
The InChIKey is JFYJNJQYPXDYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-4-5-8(2)10(14)13-9-6-11-12-7-9/h6-8H,3-5H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2-methyl-N-(1H-pyrazol-4-yl)hexanamide?
2-methyl-N-(1H-pyrazol-4-yl)hexanamide has a molecular weight of 195.27 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1H-pyrazol-4-yl)hexanamide is sourced from PubChem (CID 142236469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).