N-(3-phenyl-3-pyrazol-1-ylpropanoyl)benzamide

C19H17N3O2 — CID 146165038

IUPACN-(3-phenyl-3-pyrazol-1-ylpropanoyl)benzamide
SMILESO=C(CC(c1ccccc1)n1cccn1)NC(=O)c1ccccc1
InChIInChI=1S/C19H17N3O2/c23-18(21-19(24)16-10-5-2-6-11-16)14-17(22-13-7-12-20-22)15-8-3-1-4-9-15/h1-13,17H,14H2,(H,21,23,24)
InChIKeyHMQMXOGGABKMRS-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.82
Rot. Bonds5

About N-(3-phenyl-3-pyrazol-1-ylpropanoyl)benzamide

N-(3-phenyl-3-pyrazol-1-ylpropanoyl)benzamide (PubChem CID 146165038) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-(3-phenyl-3-pyrazol-1-ylpropanoyl)benzamide.

Molecular Properties

Compound NameN-(3-phenyl-3-pyrazol-1-ylpropanoyl)benzamide
PubChem CID146165038
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-(3-phenyl-3-pyrazol-1-ylpropanoyl)benzamide
SMILESO=C(CC(c1ccccc1)n1cccn1)NC(=O)c1ccccc1
InChIInChI=1S/C19H17N3O2/c23-18(21-19(24)16-10-5-2-6-11-16)14-17(22-13-7-12-20-22)15-8-3-1-4-9-15/h1-13,17H,14H2,(H,21,23,24)
InChIKeyHMQMXOGGABKMRS-UHFFFAOYSA-N
XLogP2.82
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3-diphenylpropanoyl)benzamide
CID 101440172
(3R)-1-phenyl-3-pyrazol-1-yl-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 102125723
(3R)-3-(4-methoxyphenyl)-1-phenyl-3-pyrazol-1-ylpropan-1-one
CID 102125729
3-phenyl-3-pyrazol-1-ylpropanimidamide
CID 62778282
3-(3-bromophenyl)-3-pyrazol-1-ylpropanehydrazide
CID 166079080
N-methyl-3-phenyl-3-pyrazol-1-ylpropan-1-amine
CID 141401683
1-(4-methoxy-1-phenylbutyl)pyrazole
CID 89498117
N-pyrazol-1-ylbenzamide
CID 57160205
N-(3,3-diphenylpropyl)-2-pyrazol-1-ylpropanamide
CID 134060458
(3R)-1,3-diphenyl-3-(1,2,4-triazol-1-yl)propan-1-one
CID 40573311
(3S)-N-phenyl-3-pyrazol-1-ylbutanamide
CID 92708085
1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxo-N-(2-phenyl-2-pyrazol-1-ylethyl)pyridine-3-carboxamide
CID 164618127

Frequently Asked Questions

What is the IUPAC name of N-(3-phenyl-3-pyrazol-1-ylpropanoyl)benzamide?
The IUPAC name of N-(3-phenyl-3-pyrazol-1-ylpropanoyl)benzamide (CID 146165038) is N-(3-phenyl-3-pyrazol-1-ylpropanoyl)benzamide.
What is the SMILES notation for N-(3-phenyl-3-pyrazol-1-ylpropanoyl)benzamide?
The canonical SMILES for N-(3-phenyl-3-pyrazol-1-ylpropanoyl)benzamide is O=C(CC(c1ccccc1)n1cccn1)NC(=O)c1ccccc1.
What is the InChIKey of N-(3-phenyl-3-pyrazol-1-ylpropanoyl)benzamide?
The InChIKey is HMQMXOGGABKMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c23-18(21-19(24)16-10-5-2-6-11-16)14-17(22-13-7-12-20-22)15-8-3-1-4-9-15/h1-13,17H,14H2,(H,21,23,24).
What are the key properties of N-(3-phenyl-3-pyrazol-1-ylpropanoyl)benzamide?
N-(3-phenyl-3-pyrazol-1-ylpropanoyl)benzamide has a molecular weight of 319.36 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenyl-3-pyrazol-1-ylpropanoyl)benzamide is sourced from PubChem (CID 146165038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).