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

C15H11Cl2N3 — CID 3366574

IUPAC3-(2-chlorophenyl)-1-(4-chlorophenyl)pyrazol-5-amine
SMILESNc1cc(-c2ccccc2Cl)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C15H11Cl2N3/c16-10-5-7-11(8-6-10)20-15(18)9-14(19-20)12-3-1-2-4-13(12)17/h1-9H,18H2
InChIKeyHXLJKPHHLZAYQO-UHFFFAOYSA-N
MW304.18 g/mol
LogP4.43
Rot. Bonds2

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

3-(2-chlorophenyl)-1-(4-chlorophenyl)pyrazol-5-amine (PubChem CID 3366574) has the molecular formula C15H11Cl2N3 and a molecular weight of 304.18 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-(4-chlorophenyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-(4-chlorophenyl)pyrazol-5-amine
PubChem CID3366574
Molecular FormulaC15H11Cl2N3
Molecular Weight304.18 g/mol
Exact Mass303.03
IUPAC Name3-(2-chlorophenyl)-1-(4-chlorophenyl)pyrazol-5-amine
SMILESNc1cc(-c2ccccc2Cl)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C15H11Cl2N3/c16-10-5-7-11(8-6-10)20-15(18)9-14(19-20)12-3-1-2-4-13(12)17/h1-9H,18H2
InChIKeyHXLJKPHHLZAYQO-UHFFFAOYSA-N
XLogP4.43
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 54.43
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-(4-chlorophenyl)pyrazol-5-amine?
The IUPAC name of 3-(2-chlorophenyl)-1-(4-chlorophenyl)pyrazol-5-amine (CID 3366574) is 3-(2-chlorophenyl)-1-(4-chlorophenyl)pyrazol-5-amine.
What is the SMILES notation for 3-(2-chlorophenyl)-1-(4-chlorophenyl)pyrazol-5-amine?
The canonical SMILES for 3-(2-chlorophenyl)-1-(4-chlorophenyl)pyrazol-5-amine is Nc1cc(-c2ccccc2Cl)nn1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-1-(4-chlorophenyl)pyrazol-5-amine?
The InChIKey is HXLJKPHHLZAYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3/c16-10-5-7-11(8-6-10)20-15(18)9-14(19-20)12-3-1-2-4-13(12)17/h1-9H,18H2.
What are the key properties of 3-(2-chlorophenyl)-1-(4-chlorophenyl)pyrazol-5-amine?
3-(2-chlorophenyl)-1-(4-chlorophenyl)pyrazol-5-amine has a molecular weight of 304.18 g/mol, XLogP of 4.43, 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-(4-chlorophenyl)pyrazol-5-amine is sourced from PubChem (CID 3366574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).