N-(1H-pyrazol-4-yl)butanamide

C7H11N3O — CID 13450485

IUPACN-(1H-pyrazol-4-yl)butanamide
SMILESCCCC(=O)Nc1cn[nH]c1
InChIInChI=1S/C7H11N3O/c1-2-3-7(11)10-6-4-8-9-5-6/h4-5H,2-3H2,1H3,(H,8,9)(H,10,11)
InChIKeyGXLXEBVOOWGVTH-UHFFFAOYSA-N
MW153.19 g/mol
LogP1.15
Rot. Bonds3

About N-(1H-pyrazol-4-yl)butanamide

N-(1H-pyrazol-4-yl)butanamide (PubChem CID 13450485) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is N-(1H-pyrazol-4-yl)butanamide.

Molecular Properties

Compound NameN-(1H-pyrazol-4-yl)butanamide
PubChem CID13450485
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC NameN-(1H-pyrazol-4-yl)butanamide
SMILESCCCC(=O)Nc1cn[nH]c1
InChIInChI=1S/C7H11N3O/c1-2-3-7(11)10-6-4-8-9-5-6/h4-5H,2-3H2,1H3,(H,8,9)(H,10,11)
InChIKeyGXLXEBVOOWGVTH-UHFFFAOYSA-N
XLogP1.15
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Acetylaminopyrazole
CID 12346894
N-(1H-pyrazol-4-yl)but-2-ynamide hydrochloride
CID 155820287
1-amino-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide hydrochloride
CID 165469821
N-(1H-pyrazol-4-yl)-4-(3-sulfanylpropanoylamino)butanamide
CID 177681374
2-methoxy-N-(1H-pyrazol-4-yl)acetamide
CID 20784748
1-(1h-Pyrazol-4-yl)pyrrolidin-2-one
CID 134691297
3-amino-2-methyl-N-(1H-pyrazol-4-yl)propanamide
CID 54592830
N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 63006229
3,3-difluoro-2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide
CID 126789290
2-[cyclopropyl(ethyl)amino]-N-(1H-pyrazol-4-yl)acetamide
CID 136517020
2,2,2-Trifluoro-N-(1H-pyrazol-4-yl)acetamide
CID 60999972
N-(5-chloro-1H-pyrazol-4-yl)-4,4,4-trifluorobutanamide
CID 89879106

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-yl)butanamide?
The IUPAC name of N-(1H-pyrazol-4-yl)butanamide (CID 13450485) is N-(1H-pyrazol-4-yl)butanamide.
What is the SMILES notation for N-(1H-pyrazol-4-yl)butanamide?
The canonical SMILES for N-(1H-pyrazol-4-yl)butanamide is CCCC(=O)Nc1cn[nH]c1.
What is the InChIKey of N-(1H-pyrazol-4-yl)butanamide?
The InChIKey is GXLXEBVOOWGVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-2-3-7(11)10-6-4-8-9-5-6/h4-5H,2-3H2,1H3,(H,8,9)(H,10,11).
What are the key properties of N-(1H-pyrazol-4-yl)butanamide?
N-(1H-pyrazol-4-yl)butanamide has a molecular weight of 153.19 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-yl)butanamide is sourced from PubChem (CID 13450485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).