N-(2-ethylphenyl)-4-pyrazol-1-ylbenzamide

C18H17N3O — CID 2992386

IUPACN-(2-ethylphenyl)-4-pyrazol-1-ylbenzamide
SMILESCCc1ccccc1NC(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H17N3O/c1-2-14-6-3-4-7-17(14)20-18(22)15-8-10-16(11-9-15)21-13-5-12-19-21/h3-13H,2H2,1H3,(H,20,22)
InChIKeyWBTNRDJVOUSZSA-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.69
Rot. Bonds4

About N-(2-ethylphenyl)-4-pyrazol-1-ylbenzamide

N-(2-ethylphenyl)-4-pyrazol-1-ylbenzamide (PubChem CID 2992386) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(2-ethylphenyl)-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-4-pyrazol-1-ylbenzamide
PubChem CID2992386
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-(2-ethylphenyl)-4-pyrazol-1-ylbenzamide
SMILESCCc1ccccc1NC(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H17N3O/c1-2-14-6-3-4-7-17(14)20-18(22)15-8-10-16(11-9-15)21-13-5-12-19-21/h3-13H,2H2,1H3,(H,20,22)
InChIKeyWBTNRDJVOUSZSA-UHFFFAOYSA-N
XLogP3.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-pyrazol-1-ylbenzamide
CID 131899424
N-methyl-2-[(4-pyrazol-1-ylbenzoyl)amino]benzamide
CID 43020845
2-[(4-pyrazol-1-ylbenzoyl)amino]benzamide
CID 78812019
4-carbamothioyl-N-(2-ethylphenyl)benzamide
CID 24701892
N-(2,5-diethoxyphenyl)-4-pyrazol-1-ylbenzamide
CID 26702605
4-pyrazol-1-yl-N-pyridin-4-ylbenzamide
CID 27700232
N-(4-bromo-2-methylphenyl)-4-pyrazol-1-ylbenzamide
CID 71758813
N-(2-ethylphenyl)-2-[(4-fluorobenzoyl)amino]benzamide
CID 58758751
N-(2,6-diethylphenyl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 86997630
N-(6-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzamide
CID 35505245
4-(aminomethyl)-N-(2-ethylphenyl)benzamide
CID 16782121
N-(2-ethylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110300421

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-(2-ethylphenyl)-4-pyrazol-1-ylbenzamide (CID 2992386) is N-(2-ethylphenyl)-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-(2-ethylphenyl)-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-(2-ethylphenyl)-4-pyrazol-1-ylbenzamide is CCc1ccccc1NC(=O)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-(2-ethylphenyl)-4-pyrazol-1-ylbenzamide?
The InChIKey is WBTNRDJVOUSZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-2-14-6-3-4-7-17(14)20-18(22)15-8-10-16(11-9-15)21-13-5-12-19-21/h3-13H,2H2,1H3,(H,20,22).
What are the key properties of N-(2-ethylphenyl)-4-pyrazol-1-ylbenzamide?
N-(2-ethylphenyl)-4-pyrazol-1-ylbenzamide has a molecular weight of 291.35 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 2992386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).