N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzamide

C17H15N3O — CID 14183157

IUPACN-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzamide
SMILESCc1[nH]nc(-c2ccccc2)c1NC(=O)c1ccccc1
InChIInChI=1S/C17H15N3O/c1-12-15(18-17(21)14-10-6-3-7-11-14)16(20-19-12)13-8-4-2-5-9-13/h2-11H,1H3,(H,18,21)(H,19,20)
InChIKeyWQYQJVNPJUGMFG-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.64
Rot. Bonds3

About N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzamide

N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzamide (PubChem CID 14183157) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzamide
PubChem CID14183157
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC NameN-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzamide
SMILESCc1[nH]nc(-c2ccccc2)c1NC(=O)c1ccccc1
InChIInChI=1S/C17H15N3O/c1-12-15(18-17(21)14-10-6-3-7-11-14)16(20-19-12)13-8-4-2-5-9-13/h2-11H,1H3,(H,18,21)(H,19,20)
InChIKeyWQYQJVNPJUGMFG-UHFFFAOYSA-N
XLogP3.64
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzamide?
The IUPAC name of N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzamide (CID 14183157) is N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzamide?
The canonical SMILES for N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzamide is Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1ccccc1.
What is the InChIKey of N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzamide?
The InChIKey is WQYQJVNPJUGMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-12-15(18-17(21)14-10-6-3-7-11-14)16(20-19-12)13-8-4-2-5-9-13/h2-11H,1H3,(H,18,21)(H,19,20).
What are the key properties of N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzamide?
N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzamide has a molecular weight of 277.33 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 14183157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).