2-N-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diamine

C15H14N4 — CID 2423957

IUPAC2-N-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diamine
SMILESNc1ccccc1Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C15H14N4/c16-12-8-4-5-9-13(12)17-15-10-14(18-19-15)11-6-2-1-3-7-11/h1-10H,16H2,(H2,17,18,19)
InChIKeyUMKOVSRCLBSSTA-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.40
Rot. Bonds3

About 2-N-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diamine

2-N-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diamine (PubChem CID 2423957) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-N-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diamine
PubChem CID2423957
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name2-N-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diamine
SMILESNc1ccccc1Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C15H14N4/c16-12-8-4-5-9-13(12)17-15-10-14(18-19-15)11-6-2-1-3-7-11/h1-10H,16H2,(H2,17,18,19)
InChIKeyUMKOVSRCLBSSTA-UHFFFAOYSA-N
XLogP3.40
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Pyrazole, 5-amino-3-(p-aminophenyl)-1-phenyl-
CID 202779
1,3-Diphenyl-1H-pyrazol-5-amine
CID 199969
N,5-diphenyl-2H-triazol-4-amine
CID 6401302
(2,4-Dihydroindeno(1,2-c)pyrazol-3-yl)phenylamine
CID 11550535
5-(4-Amino-phenyl)-2-p-tolyl-2H-pyrazol-3-ylamine
CID 786192
3,5-Dianilinopyrazole
CID 2322334
5-(2-Aminoanilino)-1,3-diphenylpyrazole
CID 2416350
N-(3-fluorophenyl)-1H-indazol-3-amine
CID 25096268
5-(2-Chlorophenyl)-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine
CID 136002545
N-methyl-5-phenyl-1H-pyrazol-3-amine
CID 12356179
3-(4-Fluorophenyl)-1-phenyl-1H-pyrazol-5-amine
CID 3352034
1-(5-phenyl-1H-pyrazol-3-yl)azepane
CID 973199

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diamine?
The IUPAC name of 2-N-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diamine (CID 2423957) is 2-N-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diamine is Nc1ccccc1Nc1cc(-c2ccccc2)[nH]n1.
What is the InChIKey of 2-N-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diamine?
The InChIKey is UMKOVSRCLBSSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c16-12-8-4-5-9-13(12)17-15-10-14(18-19-15)11-6-2-1-3-7-11/h1-10H,16H2,(H2,17,18,19).
What are the key properties of 2-N-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diamine?
2-N-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diamine has a molecular weight of 250.31 g/mol, XLogP of 3.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diamine is sourced from PubChem (CID 2423957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).