(5-amino-2-chlorophenyl)-(4-pyrazol-1-ylphenyl)methanone

C16H12ClN3O — CID 89258102

IUPAC(5-amino-2-chlorophenyl)-(4-pyrazol-1-ylphenyl)methanone
SMILESNc1ccc(Cl)c(C(=O)c2ccc(-n3cccn3)cc2)c1
InChIInChI=1S/C16H12ClN3O/c17-15-7-4-12(18)10-14(15)16(21)11-2-5-13(6-3-11)20-9-1-8-19-20/h1-10H,18H2
InChIKeyTYHVZBUBYCXKCU-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.34
Rot. Bonds3

About (5-amino-2-chlorophenyl)-(4-pyrazol-1-ylphenyl)methanone

(5-amino-2-chlorophenyl)-(4-pyrazol-1-ylphenyl)methanone (PubChem CID 89258102) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is (5-amino-2-chlorophenyl)-(4-pyrazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name(5-amino-2-chlorophenyl)-(4-pyrazol-1-ylphenyl)methanone
PubChem CID89258102
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC Name(5-amino-2-chlorophenyl)-(4-pyrazol-1-ylphenyl)methanone
SMILESNc1ccc(Cl)c(C(=O)c2ccc(-n3cccn3)cc2)c1
InChIInChI=1S/C16H12ClN3O/c17-15-7-4-12(18)10-14(15)16(21)11-2-5-13(6-3-11)20-9-1-8-19-20/h1-10H,18H2
InChIKeyTYHVZBUBYCXKCU-UHFFFAOYSA-N
XLogP3.34
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-amino-2-chlorophenyl)-(4-pyrazol-1-ylphenyl)methanone?
The IUPAC name of (5-amino-2-chlorophenyl)-(4-pyrazol-1-ylphenyl)methanone (CID 89258102) is (5-amino-2-chlorophenyl)-(4-pyrazol-1-ylphenyl)methanone.
What is the SMILES notation for (5-amino-2-chlorophenyl)-(4-pyrazol-1-ylphenyl)methanone?
The canonical SMILES for (5-amino-2-chlorophenyl)-(4-pyrazol-1-ylphenyl)methanone is Nc1ccc(Cl)c(C(=O)c2ccc(-n3cccn3)cc2)c1.
What is the InChIKey of (5-amino-2-chlorophenyl)-(4-pyrazol-1-ylphenyl)methanone?
The InChIKey is TYHVZBUBYCXKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c17-15-7-4-12(18)10-14(15)16(21)11-2-5-13(6-3-11)20-9-1-8-19-20/h1-10H,18H2.
What are the key properties of (5-amino-2-chlorophenyl)-(4-pyrazol-1-ylphenyl)methanone?
(5-amino-2-chlorophenyl)-(4-pyrazol-1-ylphenyl)methanone has a molecular weight of 297.75 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-chlorophenyl)-(4-pyrazol-1-ylphenyl)methanone is sourced from PubChem (CID 89258102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).