2-butyl-N-(1-methylpyrazol-4-yl)hexanamide

C14H25N3O — CID 139359487

IUPAC2-butyl-N-(1-methylpyrazol-4-yl)hexanamide
SMILESCCCCC(CCCC)C(=O)Nc1cnn(C)c1
InChIInChI=1S/C14H25N3O/c1-4-6-8-12(9-7-5-2)14(18)16-13-10-15-17(3)11-13/h10-12H,4-9H2,1-3H3,(H,16,18)
InChIKeySKMGBJAPIJYLRZ-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.36
Rot. Bonds8

About 2-butyl-N-(1-methylpyrazol-4-yl)hexanamide

2-butyl-N-(1-methylpyrazol-4-yl)hexanamide (PubChem CID 139359487) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-butyl-N-(1-methylpyrazol-4-yl)hexanamide.

Molecular Properties

Compound Name2-butyl-N-(1-methylpyrazol-4-yl)hexanamide
PubChem CID139359487
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-butyl-N-(1-methylpyrazol-4-yl)hexanamide
SMILESCCCCC(CCCC)C(=O)Nc1cnn(C)c1
InChIInChI=1S/C14H25N3O/c1-4-6-8-12(9-7-5-2)14(18)16-13-10-15-17(3)11-13/h10-12H,4-9H2,1-3H3,(H,16,18)
InChIKeySKMGBJAPIJYLRZ-UHFFFAOYSA-N
XLogP3.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-methyl-N-(1-methylpyrazol-4-yl)propanamide
CID 178157560
1-butyl-3-(1-methylpyrazol-4-yl)urea
CID 115581879
(2R)-2-amino-4-methyl-N-(1-methylpyrazol-4-yl)pentanamide
CID 93104460
2-[(1-methylpyrazol-4-yl)carbamoylamino]pentanoic acid
CID 61198130
2-(N'-hydroxycarbamimidoyl)-N-(1-methylpyrazol-4-yl)butanamide
CID 76925347
2-(ethylamino)-2-methyl-N-(1-methylpyrazol-4-yl)propanamide
CID 62831574
N-[(2R)-heptan-2-yl]-1-methylpyrazol-4-amine
CID 93104217
3-(tert-butylamino)-N-(1-methylpyrazol-4-yl)propanamide
CID 60849362
N-(1-methylpyrazol-4-yl)-5-(propylamino)pyridine-2-carboxamide
CID 104640241
2-(aminomethyl)-2-methyl-N-(1-methylpyrazol-4-yl)butanamide
CID 114290367
3-amino-3-hydroxyimino-2-methyl-N-(1-methylpyrazol-4-yl)propanamide
CID 76925346
N-(1-methylpyrazol-4-yl)-2-pyrazol-1-ylpropanamide
CID 47187700

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-(1-methylpyrazol-4-yl)hexanamide?
The IUPAC name of 2-butyl-N-(1-methylpyrazol-4-yl)hexanamide (CID 139359487) is 2-butyl-N-(1-methylpyrazol-4-yl)hexanamide.
What is the SMILES notation for 2-butyl-N-(1-methylpyrazol-4-yl)hexanamide?
The canonical SMILES for 2-butyl-N-(1-methylpyrazol-4-yl)hexanamide is CCCCC(CCCC)C(=O)Nc1cnn(C)c1.
What is the InChIKey of 2-butyl-N-(1-methylpyrazol-4-yl)hexanamide?
The InChIKey is SKMGBJAPIJYLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-6-8-12(9-7-5-2)14(18)16-13-10-15-17(3)11-13/h10-12H,4-9H2,1-3H3,(H,16,18).
What are the key properties of 2-butyl-N-(1-methylpyrazol-4-yl)hexanamide?
2-butyl-N-(1-methylpyrazol-4-yl)hexanamide has a molecular weight of 251.37 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-(1-methylpyrazol-4-yl)hexanamide is sourced from PubChem (CID 139359487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).