3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)pyrazol-4-amine

C15H10Cl3N3 — CID 83204665

IUPAC3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)pyrazol-4-amine
SMILESNc1cn(-c2ccc(Cl)c(Cl)c2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C15H10Cl3N3/c16-10-3-1-9(2-4-10)15-14(19)8-21(20-15)11-5-6-12(17)13(18)7-11/h1-8H,19H2
InChIKeyIMHAPUCDIZNRTD-UHFFFAOYSA-N
MW338.63 g/mol
LogP5.08
Rot. Bonds2

About 3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)pyrazol-4-amine

3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)pyrazol-4-amine (PubChem CID 83204665) has the molecular formula C15H10Cl3N3 and a molecular weight of 338.63 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)pyrazol-4-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)pyrazol-4-amine
PubChem CID83204665
Molecular FormulaC15H10Cl3N3
Molecular Weight338.63 g/mol
Exact Mass336.99
IUPAC Name3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)pyrazol-4-amine
SMILESNc1cn(-c2ccc(Cl)c(Cl)c2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C15H10Cl3N3/c16-10-3-1-9(2-4-10)15-14(19)8-21(20-15)11-5-6-12(17)13(18)7-11/h1-8H,19H2
InChIKeyIMHAPUCDIZNRTD-UHFFFAOYSA-N
XLogP5.08
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.63
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)pyrazol-4-amine?
The IUPAC name of 3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)pyrazol-4-amine (CID 83204665) is 3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)pyrazol-4-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)pyrazol-4-amine?
The canonical SMILES for 3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)pyrazol-4-amine is Nc1cn(-c2ccc(Cl)c(Cl)c2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)pyrazol-4-amine?
The InChIKey is IMHAPUCDIZNRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3N3/c16-10-3-1-9(2-4-10)15-14(19)8-21(20-15)11-5-6-12(17)13(18)7-11/h1-8H,19H2.
What are the key properties of 3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)pyrazol-4-amine?
3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)pyrazol-4-amine has a molecular weight of 338.63 g/mol, XLogP of 5.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)pyrazol-4-amine is sourced from PubChem (CID 83204665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).