3-amino-4-methyl-N-(4-pyrazol-1-ylphenyl)benzamide

C17H16N4O — CID 35275378

IUPAC3-amino-4-methyl-N-(4-pyrazol-1-ylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(-n3cccn3)cc2)cc1N
InChIInChI=1S/C17H16N4O/c1-12-3-4-13(11-16(12)18)17(22)20-14-5-7-15(8-6-14)21-10-2-9-19-21/h2-11H,18H2,1H3,(H,20,22)
InChIKeyTWUZOGONCIKAIW-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.02
Rot. Bonds3

About 3-amino-4-methyl-N-(4-pyrazol-1-ylphenyl)benzamide

3-amino-4-methyl-N-(4-pyrazol-1-ylphenyl)benzamide (PubChem CID 35275378) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-amino-4-methyl-N-(4-pyrazol-1-ylphenyl)benzamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-(4-pyrazol-1-ylphenyl)benzamide
PubChem CID35275378
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name3-amino-4-methyl-N-(4-pyrazol-1-ylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(-n3cccn3)cc2)cc1N
InChIInChI=1S/C17H16N4O/c1-12-3-4-13(11-16(12)18)17(22)20-14-5-7-15(8-6-14)21-10-2-9-19-21/h2-11H,18H2,1H3,(H,20,22)
InChIKeyTWUZOGONCIKAIW-UHFFFAOYSA-N
XLogP3.02
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-pyrazol-1-yl-N-pyridin-4-ylbenzamide
CID 27700232
3-bromo-N-(4-pyrazol-1-ylphenyl)benzamide
CID 35761421
3-methoxy-N-(4-pyrazol-1-ylphenyl)benzamide
CID 31923113
propan-2-yl 4-[(4-pyrazol-1-ylbenzoyl)amino]benzoate
CID 17497737
N-(3,4-difluorophenyl)-4-pyrazol-1-ylbenzamide
CID 17426566
N-(3,5-dichlorophenyl)-4-pyrazol-1-ylbenzamide
CID 46813346
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-4-pyrazol-1-ylbenzamide
CID 25443780
3-amino-4-methyl-N-pyrimidin-5-ylbenzamide
CID 107587369
3-amino-4-methyl-N-pyrimidin-2-ylbenzamide
CID 24691828
N-[4-methyl-3-(4-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide
CID 46842664
3-amino-N-[4-[(1R)-1-hydroxyethyl]phenyl]-4-methylbenzamide
CID 100803507
3-amino-N-[4-(difluoromethylsulfanyl)phenyl]-4-methylbenzamide
CID 43699005

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-(4-pyrazol-1-ylphenyl)benzamide?
The IUPAC name of 3-amino-4-methyl-N-(4-pyrazol-1-ylphenyl)benzamide (CID 35275378) is 3-amino-4-methyl-N-(4-pyrazol-1-ylphenyl)benzamide.
What is the SMILES notation for 3-amino-4-methyl-N-(4-pyrazol-1-ylphenyl)benzamide?
The canonical SMILES for 3-amino-4-methyl-N-(4-pyrazol-1-ylphenyl)benzamide is Cc1ccc(C(=O)Nc2ccc(-n3cccn3)cc2)cc1N.
What is the InChIKey of 3-amino-4-methyl-N-(4-pyrazol-1-ylphenyl)benzamide?
The InChIKey is TWUZOGONCIKAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-12-3-4-13(11-16(12)18)17(22)20-14-5-7-15(8-6-14)21-10-2-9-19-21/h2-11H,18H2,1H3,(H,20,22).
What are the key properties of 3-amino-4-methyl-N-(4-pyrazol-1-ylphenyl)benzamide?
3-amino-4-methyl-N-(4-pyrazol-1-ylphenyl)benzamide has a molecular weight of 292.34 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-N-(4-pyrazol-1-ylphenyl)benzamide is sourced from PubChem (CID 35275378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).