N-(4-methylphenyl)-4-(1H-pyrazol-4-yl)benzamide

C17H15N3O — CID 110464321

IUPACN-(4-methylphenyl)-4-(1H-pyrazol-4-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(-c3cn[nH]c3)cc2)cc1
InChIInChI=1S/C17H15N3O/c1-12-2-8-16(9-3-12)20-17(21)14-6-4-13(5-7-14)15-10-18-19-11-15/h2-11H,1H3,(H,18,19)(H,20,21)
InChIKeyRVBWOOXMYBPOFZ-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.64
Rot. Bonds3

About N-(4-methylphenyl)-4-(1H-pyrazol-4-yl)benzamide

N-(4-methylphenyl)-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 110464321) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-(1H-pyrazol-4-yl)benzamide
PubChem CID110464321
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC NameN-(4-methylphenyl)-4-(1H-pyrazol-4-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(-c3cn[nH]c3)cc2)cc1
InChIInChI=1S/C17H15N3O/c1-12-2-8-16(9-3-12)20-17(21)14-6-4-13(5-7-14)15-10-18-19-11-15/h2-11H,1H3,(H,18,19)(H,20,21)
InChIKeyRVBWOOXMYBPOFZ-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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Related Compounds

N-(4-methylphenyl)-4-[5-(4-methylphenyl)pyrimidin-2-yl]oxybenzamide
CID 46388960
N-tert-butyl-4-(1H-pyrazol-4-yl)benzamide
CID 110464260
N-ethyl-4-(1H-pyrazol-4-yl)benzamide
CID 110464248
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide
CID 139337158
N-(3-hydroxy-2-pyridinyl)-4-(1H-pyrazol-4-yl)benzamide
CID 110464333
4-(1H-pyrazol-4-yl)-N-(1,3-thiazol-2-yl)benzamide
CID 110464300
4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(4-methylphenyl)benzamide
CID 53116673
N-(1H-indazol-5-yl)-4-methylbenzamide
CID 17163732
4-carbamothioyl-N-(4-methylphenyl)benzamide
CID 24707290
N-(8-fluoroquinolin-3-yl)-4-(1H-pyrazol-4-yl)benzamide
CID 154795411
N-(2-amino-2-oxoethyl)-4-(1H-pyrazol-4-yl)benzamide
CID 110473761

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of N-(4-methylphenyl)-4-(1H-pyrazol-4-yl)benzamide (CID 110464321) is N-(4-methylphenyl)-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for N-(4-methylphenyl)-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for N-(4-methylphenyl)-4-(1H-pyrazol-4-yl)benzamide is Cc1ccc(NC(=O)c2ccc(-c3cn[nH]c3)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is RVBWOOXMYBPOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-12-2-8-16(9-3-12)20-17(21)14-6-4-13(5-7-14)15-10-18-19-11-15/h2-11H,1H3,(H,18,19)(H,20,21).
What are the key properties of N-(4-methylphenyl)-4-(1H-pyrazol-4-yl)benzamide?
N-(4-methylphenyl)-4-(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-(4-methylphenyl)-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 110464321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).