N-(4-phenylbutyl)-2-pyrazol-1-ylpropanamide

C16H21N3O — CID 119059945

IUPACN-(4-phenylbutyl)-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)NCCCCc1ccccc1)n1cccn1
InChIInChI=1S/C16H21N3O/c1-14(19-13-7-12-18-19)16(20)17-11-6-5-10-15-8-3-2-4-9-15/h2-4,7-9,12-14H,5-6,10-11H2,1H3,(H,17,20)
InChIKeyDIKHIGNMSYUJGH-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.58
Rot. Bonds7

About N-(4-phenylbutyl)-2-pyrazol-1-ylpropanamide

N-(4-phenylbutyl)-2-pyrazol-1-ylpropanamide (PubChem CID 119059945) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(4-phenylbutyl)-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(4-phenylbutyl)-2-pyrazol-1-ylpropanamide
PubChem CID119059945
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(4-phenylbutyl)-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)NCCCCc1ccccc1)n1cccn1
InChIInChI=1S/C16H21N3O/c1-14(19-13-7-12-18-19)16(20)17-11-6-5-10-15-8-3-2-4-9-15/h2-4,7-9,12-14H,5-6,10-11H2,1H3,(H,17,20)
InChIKeyDIKHIGNMSYUJGH-UHFFFAOYSA-N
XLogP2.58
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-(2-phenylethyl)-3-pyrazol-1-ylbutanamide
CID 92708028
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
N-(2-phenylethyl)-2-pyrrol-1-ylpropanamide
CID 17086628
(2S)-N-[(2R)-2-phenoxypropyl]-2-pyrazol-1-ylpropanamide
CID 96541424
N-(3-phenylpropyl)pyrazole-1-carboxamide
CID 118526757
2-(4-benzylpiperazin-1-yl)-N-(3-phenylpropyl)propanamide
CID 11793239
2-methyl-3-(2-pyrazol-1-ylpropanoylamino)propanoic acid
CID 62676010
(2R)-2-methyl-N-(3-phenylpropyl)butanamide
CID 94018072
N-(3-phenylpropyl)-2-sulfanylpropanamide
CID 107023594
N-[(1R)-2-hydroxy-1-phenylethyl]-2-pyrazol-1-ylpropanamide
CID 103772679
(2S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-pyrazol-1-ylpropanamide
CID 94199388
(2R)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-pyrazol-1-ylpropanamide
CID 126450922

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutyl)-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-(4-phenylbutyl)-2-pyrazol-1-ylpropanamide (CID 119059945) is N-(4-phenylbutyl)-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(4-phenylbutyl)-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(4-phenylbutyl)-2-pyrazol-1-ylpropanamide is CC(C(=O)NCCCCc1ccccc1)n1cccn1.
What is the InChIKey of N-(4-phenylbutyl)-2-pyrazol-1-ylpropanamide?
The InChIKey is DIKHIGNMSYUJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-14(19-13-7-12-18-19)16(20)17-11-6-5-10-15-8-3-2-4-9-15/h2-4,7-9,12-14H,5-6,10-11H2,1H3,(H,17,20).
What are the key properties of N-(4-phenylbutyl)-2-pyrazol-1-ylpropanamide?
N-(4-phenylbutyl)-2-pyrazol-1-ylpropanamide has a molecular weight of 271.36 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutyl)-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 119059945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).