2-amino-N-(2-phenylpyrazol-3-yl)benzamide

C16H14N4O — CID 14638390

IUPAC2-amino-N-(2-phenylpyrazol-3-yl)benzamide
SMILESNc1ccccc1C(=O)Nc1ccnn1-c1ccccc1
InChIInChI=1S/C16H14N4O/c17-14-9-5-4-8-13(14)16(21)19-15-10-11-18-20(15)12-6-2-1-3-7-12/h1-11H,17H2,(H,19,21)
InChIKeyJPRHCJYUIDLLRD-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.71
Rot. Bonds3

About 2-amino-N-(2-phenylpyrazol-3-yl)benzamide

2-amino-N-(2-phenylpyrazol-3-yl)benzamide (PubChem CID 14638390) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-amino-N-(2-phenylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2-amino-N-(2-phenylpyrazol-3-yl)benzamide
PubChem CID14638390
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name2-amino-N-(2-phenylpyrazol-3-yl)benzamide
SMILESNc1ccccc1C(=O)Nc1ccnn1-c1ccccc1
InChIInChI=1S/C16H14N4O/c17-14-9-5-4-8-13(14)16(21)19-15-10-11-18-20(15)12-6-2-1-3-7-12/h1-11H,17H2,(H,19,21)
InChIKeyJPRHCJYUIDLLRD-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

N-(2-phenylpyrazol-3-yl)acetamide
CID 12678799
N-[2-(4-aminophenyl)pyrazol-3-yl]pyridine-2-carboxamide
CID 62881555
2-amino-N-(2-phenylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 142772376
N-[2-(4-aminophenyl)pyrazol-3-yl]acetamide
CID 62881877
2-amino-N-pyridin-4-ylbenzamide
CID 5080262
2-amino-N-(6-methylpyridazin-3-yl)benzamide
CID 176835878
[2-[(2-aminobenzoyl)amino]phenyl]carbamic acid
CID 69256283
N-[2-(4-aminophenyl)pyrazol-3-yl]-5-methylfuran-2-carboxamide
CID 62880357
N-[2-(4-aminophenyl)pyrazol-3-yl]thiophene-3-carboxamide
CID 62881561
N-[2-(4-aminophenyl)pyrazol-3-yl]-1-methylpyrazole-4-carboxamide
CID 62881880
2-phenyl-N-[3-[4-(2-phenylethyl)phenyl]prop-1-en-2-yl]pyrazol-3-amine
CID 143052880
(2-aminophenyl)-(2-phenylpyrazol-3-yl)methanol
CID 107330329

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-phenylpyrazol-3-yl)benzamide?
The IUPAC name of 2-amino-N-(2-phenylpyrazol-3-yl)benzamide (CID 14638390) is 2-amino-N-(2-phenylpyrazol-3-yl)benzamide.
What is the SMILES notation for 2-amino-N-(2-phenylpyrazol-3-yl)benzamide?
The canonical SMILES for 2-amino-N-(2-phenylpyrazol-3-yl)benzamide is Nc1ccccc1C(=O)Nc1ccnn1-c1ccccc1.
What is the InChIKey of 2-amino-N-(2-phenylpyrazol-3-yl)benzamide?
The InChIKey is JPRHCJYUIDLLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c17-14-9-5-4-8-13(14)16(21)19-15-10-11-18-20(15)12-6-2-1-3-7-12/h1-11H,17H2,(H,19,21).
What are the key properties of 2-amino-N-(2-phenylpyrazol-3-yl)benzamide?
2-amino-N-(2-phenylpyrazol-3-yl)benzamide 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 2-amino-N-(2-phenylpyrazol-3-yl)benzamide is sourced from PubChem (CID 14638390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).