1,3-bis(4-chlorophenyl)pyrazol-5-amine

C15H11Cl2N3 — CID 2769588

IUPAC1,3-bis(4-chlorophenyl)pyrazol-5-amine
SMILESNc1cc(-c2ccc(Cl)cc2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C15H11Cl2N3/c16-11-3-1-10(2-4-11)14-9-15(18)20(19-14)13-7-5-12(17)6-8-13/h1-9H,18H2
InChIKeySPVJKUIEENHMCT-UHFFFAOYSA-N
MW304.18 g/mol
LogP4.43
Rot. Bonds2

About 1,3-bis(4-chlorophenyl)pyrazol-5-amine

1,3-bis(4-chlorophenyl)pyrazol-5-amine (PubChem CID 2769588) has the molecular formula C15H11Cl2N3 and a molecular weight of 304.18 g/mol. Its IUPAC name is 1,3-bis(4-chlorophenyl)pyrazol-5-amine.

Molecular Properties

Compound Name1,3-bis(4-chlorophenyl)pyrazol-5-amine
PubChem CID2769588
Molecular FormulaC15H11Cl2N3
Molecular Weight304.18 g/mol
Exact Mass303.03
IUPAC Name1,3-bis(4-chlorophenyl)pyrazol-5-amine
SMILESNc1cc(-c2ccc(Cl)cc2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C15H11Cl2N3/c16-11-3-1-10(2-4-11)14-9-15(18)20(19-14)13-7-5-12(17)6-8-13/h1-9H,18H2
InChIKeySPVJKUIEENHMCT-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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Related Compounds

Pyrazole, 5-amino-3-(p-aminophenyl)-1-phenyl-
CID 202779
1H-Pyrazol-5-amine, 1-(4-chlorophenyl)-3-methyl-
CID 170301
3-Methyl-1,4-diphenyl-1H-pyrazol-5-amine
CID 619285
1-(3-chlorophenyl)-4-phenyl-1H-pyrazol-5-ylamine
CID 3717260
1,3-Diphenyl-1H-pyrazol-5-amine
CID 199969
3-(4-Chlorophenyl)-1-Methyl-1H-Pyrazol-5-Amine
CID 2735304
1-(4-Fluorophenyl)-3-(4-methylphenyl)-1H-pyrazol-5-amine
CID 1478026
3-(3-Methylphenyl)-1-phenyl-1H-pyrazol-5-ylamine
CID 2060622
3-(4-ethylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2517678
3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2769585
4-(4-chlorophenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2743446
3-(4-Methylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 854142

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-chlorophenyl)pyrazol-5-amine?
The IUPAC name of 1,3-bis(4-chlorophenyl)pyrazol-5-amine (CID 2769588) is 1,3-bis(4-chlorophenyl)pyrazol-5-amine.
What is the SMILES notation for 1,3-bis(4-chlorophenyl)pyrazol-5-amine?
The canonical SMILES for 1,3-bis(4-chlorophenyl)pyrazol-5-amine is Nc1cc(-c2ccc(Cl)cc2)nn1-c1ccc(Cl)cc1.
What is the InChIKey of 1,3-bis(4-chlorophenyl)pyrazol-5-amine?
The InChIKey is SPVJKUIEENHMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3/c16-11-3-1-10(2-4-11)14-9-15(18)20(19-14)13-7-5-12(17)6-8-13/h1-9H,18H2.
What are the key properties of 1,3-bis(4-chlorophenyl)pyrazol-5-amine?
1,3-bis(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 1,3-bis(4-chlorophenyl)pyrazol-5-amine is sourced from PubChem (CID 2769588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).