5-(4-chlorophenyl)-4-(2-phenylhydrazinyl)-1H-pyrazol-3-amine

C15H14ClN5 — CID 102020194

IUPAC5-(4-chlorophenyl)-4-(2-phenylhydrazinyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccc(Cl)cc2)c1NNc1ccccc1
InChIInChI=1S/C15H14ClN5/c16-11-8-6-10(7-9-11)13-14(15(17)21-19-13)20-18-12-4-2-1-3-5-12/h1-9,18,20H,(H3,17,19,21)
InChIKeyYIECPIGTAQJFLO-UHFFFAOYSA-N
MW299.77 g/mol
LogP3.75
Rot. Bonds4

About 5-(4-chlorophenyl)-4-(2-phenylhydrazinyl)-1H-pyrazol-3-amine

5-(4-chlorophenyl)-4-(2-phenylhydrazinyl)-1H-pyrazol-3-amine (PubChem CID 102020194) has the molecular formula C15H14ClN5 and a molecular weight of 299.77 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-(2-phenylhydrazinyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-(2-phenylhydrazinyl)-1H-pyrazol-3-amine
PubChem CID102020194
Molecular FormulaC15H14ClN5
Molecular Weight299.77 g/mol
Exact Mass299.09
IUPAC Name5-(4-chlorophenyl)-4-(2-phenylhydrazinyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccc(Cl)cc2)c1NNc1ccccc1
InChIInChI=1S/C15H14ClN5/c16-11-8-6-10(7-9-11)13-14(15(17)21-19-13)20-18-12-4-2-1-3-5-12/h1-9,18,20H,(H3,17,19,21)
InChIKeyYIECPIGTAQJFLO-UHFFFAOYSA-N
XLogP3.75
TPSA78.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 53.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-(2-phenylhydrazinyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-chlorophenyl)-4-(2-phenylhydrazinyl)-1H-pyrazol-3-amine (CID 102020194) is 5-(4-chlorophenyl)-4-(2-phenylhydrazinyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-4-(2-phenylhydrazinyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-chlorophenyl)-4-(2-phenylhydrazinyl)-1H-pyrazol-3-amine is Nc1n[nH]c(-c2ccc(Cl)cc2)c1NNc1ccccc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-(2-phenylhydrazinyl)-1H-pyrazol-3-amine?
The InChIKey is YIECPIGTAQJFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5/c16-11-8-6-10(7-9-11)13-14(15(17)21-19-13)20-18-12-4-2-1-3-5-12/h1-9,18,20H,(H3,17,19,21).
What are the key properties of 5-(4-chlorophenyl)-4-(2-phenylhydrazinyl)-1H-pyrazol-3-amine?
5-(4-chlorophenyl)-4-(2-phenylhydrazinyl)-1H-pyrazol-3-amine has a molecular weight of 299.77 g/mol, XLogP of 3.75, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-(2-phenylhydrazinyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 102020194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).