N-(5-phenyl-1H-pyrazol-3-yl)butanamide

C13H15N3O — CID 110868179

IUPACN-(5-phenyl-1H-pyrazol-3-yl)butanamide
SMILESCCCC(=O)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C13H15N3O/c1-2-6-13(17)14-12-9-11(15-16-12)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3,(H2,14,15,16,17)
InChIKeyHMQTXNIPCMHJTM-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.82
Rot. Bonds4

About N-(5-phenyl-1H-pyrazol-3-yl)butanamide

N-(5-phenyl-1H-pyrazol-3-yl)butanamide (PubChem CID 110868179) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(5-phenyl-1H-pyrazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(5-phenyl-1H-pyrazol-3-yl)butanamide
PubChem CID110868179
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-(5-phenyl-1H-pyrazol-3-yl)butanamide
SMILESCCCC(=O)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C13H15N3O/c1-2-6-13(17)14-12-9-11(15-16-12)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3,(H2,14,15,16,17)
InChIKeyHMQTXNIPCMHJTM-UHFFFAOYSA-N
XLogP2.82
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-phenylpropanamide
CID 10969426
2-(4-oxo-3H-phthalazin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)acetamide
CID 166198338
2-[(2-hydroxy-3-methylbutanoyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide
CID 90913079
3-hydroxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide
CID 110472399
4-bromo-N-(5-phenyl-1H-pyrazol-3-yl)benzamide
CID 5330996
N-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-(5-phenyl-3-pyridinyl)acetyl]amino]butanamide
CID 68895419
N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pentanamide
CID 47343840
N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide
CID 84565030
1-(2,5-dimethylphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)urea
CID 35591898
N-butan-2-yl-5-phenyl-1H-pyrazol-3-amine
CID 71102325
(2S)-2-[2-(3,5-difluorophenyl)ethylamino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide
CID 11567475
2-[(2-cyclohexyl-2-hydroxyacetyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide
CID 91455415

Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-1H-pyrazol-3-yl)butanamide?
The IUPAC name of N-(5-phenyl-1H-pyrazol-3-yl)butanamide (CID 110868179) is N-(5-phenyl-1H-pyrazol-3-yl)butanamide.
What is the SMILES notation for N-(5-phenyl-1H-pyrazol-3-yl)butanamide?
The canonical SMILES for N-(5-phenyl-1H-pyrazol-3-yl)butanamide is CCCC(=O)Nc1cc(-c2ccccc2)[nH]n1.
What is the InChIKey of N-(5-phenyl-1H-pyrazol-3-yl)butanamide?
The InChIKey is HMQTXNIPCMHJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-6-13(17)14-12-9-11(15-16-12)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3,(H2,14,15,16,17).
What are the key properties of N-(5-phenyl-1H-pyrazol-3-yl)butanamide?
N-(5-phenyl-1H-pyrazol-3-yl)butanamide has a molecular weight of 229.28 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-1H-pyrazol-3-yl)butanamide is sourced from PubChem (CID 110868179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).