N-(3,5-diphenyl-1H-pyrazol-4-yl)propanamide

C18H17N3O — CID 42687176

IUPACN-(3,5-diphenyl-1H-pyrazol-4-yl)propanamide
SMILESCCC(=O)Nc1c(-c2ccccc2)n[nH]c1-c1ccccc1
InChIInChI=1S/C18H17N3O/c1-2-15(22)19-18-16(13-9-5-3-6-10-13)20-21-17(18)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,19,22)(H,20,21)
InChIKeyYGDJEECQHVZWTH-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.09
Rot. Bonds4

About N-(3,5-diphenyl-1H-pyrazol-4-yl)propanamide

N-(3,5-diphenyl-1H-pyrazol-4-yl)propanamide (PubChem CID 42687176) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(3,5-diphenyl-1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(3,5-diphenyl-1H-pyrazol-4-yl)propanamide
PubChem CID42687176
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-(3,5-diphenyl-1H-pyrazol-4-yl)propanamide
SMILESCCC(=O)Nc1c(-c2ccccc2)n[nH]c1-c1ccccc1
InChIInChI=1S/C18H17N3O/c1-2-15(22)19-18-16(13-9-5-3-6-10-13)20-21-17(18)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,19,22)(H,20,21)
InChIKeyYGDJEECQHVZWTH-UHFFFAOYSA-N
XLogP4.09
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-diphenyl-1H-pyrazol-4-yl)propanamide?
The IUPAC name of N-(3,5-diphenyl-1H-pyrazol-4-yl)propanamide (CID 42687176) is N-(3,5-diphenyl-1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for N-(3,5-diphenyl-1H-pyrazol-4-yl)propanamide?
The canonical SMILES for N-(3,5-diphenyl-1H-pyrazol-4-yl)propanamide is CCC(=O)Nc1c(-c2ccccc2)n[nH]c1-c1ccccc1.
What is the InChIKey of N-(3,5-diphenyl-1H-pyrazol-4-yl)propanamide?
The InChIKey is YGDJEECQHVZWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-2-15(22)19-18-16(13-9-5-3-6-10-13)20-21-17(18)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-(3,5-diphenyl-1H-pyrazol-4-yl)propanamide?
N-(3,5-diphenyl-1H-pyrazol-4-yl)propanamide has a molecular weight of 291.35 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-diphenyl-1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 42687176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).