N-(2-aminophenyl)-1-phenylpyrazole-4-carboxamide

C16H14N4O — CID 28742301

IUPACN-(2-aminophenyl)-1-phenylpyrazole-4-carboxamide
SMILESNc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H14N4O/c17-14-8-4-5-9-15(14)19-16(21)12-10-18-20(11-12)13-6-2-1-3-7-13/h1-11H,17H2,(H,19,21)
InChIKeyYMZKEDUZEXULSB-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.71
Rot. Bonds3

About N-(2-aminophenyl)-1-phenylpyrazole-4-carboxamide

N-(2-aminophenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 28742301) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(2-aminophenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID28742301
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC NameN-(2-aminophenyl)-1-phenylpyrazole-4-carboxamide
SMILESNc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H14N4O/c17-14-8-4-5-9-15(14)19-16(21)12-10-18-20(11-12)13-6-2-1-3-7-13/h1-11H,17H2,(H,19,21)
InChIKeyYMZKEDUZEXULSB-UHFFFAOYSA-N
XLogP2.71
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.71
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

1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866
N-(5-chloro-2-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 95235133
N-(4-bromo-2-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 50772677
N-(1H-indol-3-yl)-1-phenylpyrazole-4-carboxamide
CID 29258148
1-phenyl-N-(1H-pyrazol-4-yl)pyrazole-4-carboxamide
CID 43429648
1-(3-chlorophenyl)-N-(2-phenylphenyl)pyrazole-4-carboxamide
CID 52694723
N-(6-chloro-2-pyridinyl)-1-phenylpyrazole-4-carboxamide
CID 115683266
1-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 25468256
N-(6-chloropyrazin-2-yl)-1-phenylpyrazole-4-carboxamide
CID 104819812
N-(3-iodo-4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 26285543
N-(3-fluoro-4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9210715
N'-(2-fluorobenzoyl)-1-phenylpyrazole-4-carbohydrazide
CID 26246673

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(2-aminophenyl)-1-phenylpyrazole-4-carboxamide (CID 28742301) is N-(2-aminophenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-1-phenylpyrazole-4-carboxamide is Nc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-(2-aminophenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is YMZKEDUZEXULSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c17-14-8-4-5-9-15(14)19-16(21)12-10-18-20(11-12)13-6-2-1-3-7-13/h1-11H,17H2,(H,19,21).
What are the key properties of N-(2-aminophenyl)-1-phenylpyrazole-4-carboxamide?
N-(2-aminophenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 28742301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).