3-(2-chlorophenyl)-1-phenylpyrazol-5-amine

C15H12ClN3 — CID 4169357

IUPAC3-(2-chlorophenyl)-1-phenylpyrazol-5-amine
SMILESNc1cc(-c2ccccc2Cl)nn1-c1ccccc1
InChIInChI=1S/C15H12ClN3/c16-13-9-5-4-8-12(13)14-10-15(17)19(18-14)11-6-2-1-3-7-11/h1-10H,17H2
InChIKeyVCUXKHQGXWZLMY-UHFFFAOYSA-N
MW269.74 g/mol
LogP3.77
Rot. Bonds2

About 3-(2-chlorophenyl)-1-phenylpyrazol-5-amine

3-(2-chlorophenyl)-1-phenylpyrazol-5-amine (PubChem CID 4169357) has the molecular formula C15H12ClN3 and a molecular weight of 269.74 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-phenylpyrazol-5-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-phenylpyrazol-5-amine
PubChem CID4169357
Molecular FormulaC15H12ClN3
Molecular Weight269.74 g/mol
Exact Mass269.07
IUPAC Name3-(2-chlorophenyl)-1-phenylpyrazol-5-amine
SMILESNc1cc(-c2ccccc2Cl)nn1-c1ccccc1
InChIInChI=1S/C15H12ClN3/c16-13-9-5-4-8-12(13)14-10-15(17)19(18-14)11-6-2-1-3-7-11/h1-10H,17H2
InChIKeyVCUXKHQGXWZLMY-UHFFFAOYSA-N
XLogP3.77
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-phenylpyrazol-5-amine?
The IUPAC name of 3-(2-chlorophenyl)-1-phenylpyrazol-5-amine (CID 4169357) is 3-(2-chlorophenyl)-1-phenylpyrazol-5-amine.
What is the SMILES notation for 3-(2-chlorophenyl)-1-phenylpyrazol-5-amine?
The canonical SMILES for 3-(2-chlorophenyl)-1-phenylpyrazol-5-amine is Nc1cc(-c2ccccc2Cl)nn1-c1ccccc1.
What is the InChIKey of 3-(2-chlorophenyl)-1-phenylpyrazol-5-amine?
The InChIKey is VCUXKHQGXWZLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3/c16-13-9-5-4-8-12(13)14-10-15(17)19(18-14)11-6-2-1-3-7-11/h1-10H,17H2.
What are the key properties of 3-(2-chlorophenyl)-1-phenylpyrazol-5-amine?
3-(2-chlorophenyl)-1-phenylpyrazol-5-amine has a molecular weight of 269.74 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-phenylpyrazol-5-amine is sourced from PubChem (CID 4169357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).