1-(2,4-dichlorophenyl)-3-(4-fluorophenyl)pyrazol-4-amine

C15H10Cl2FN3 — CID 83203120

IUPAC1-(2,4-dichlorophenyl)-3-(4-fluorophenyl)pyrazol-4-amine
SMILESNc1cn(-c2ccc(Cl)cc2Cl)nc1-c1ccc(F)cc1
InChIInChI=1S/C15H10Cl2FN3/c16-10-3-6-14(12(17)7-10)21-8-13(19)15(20-21)9-1-4-11(18)5-2-9/h1-8H,19H2
InChIKeyDEAKLWSKIZSBRK-UHFFFAOYSA-N
MW322.17 g/mol
LogP4.57
Rot. Bonds2

About 1-(2,4-dichlorophenyl)-3-(4-fluorophenyl)pyrazol-4-amine

1-(2,4-dichlorophenyl)-3-(4-fluorophenyl)pyrazol-4-amine (PubChem CID 83203120) has the molecular formula C15H10Cl2FN3 and a molecular weight of 322.17 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-(4-fluorophenyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-(4-fluorophenyl)pyrazol-4-amine
PubChem CID83203120
Molecular FormulaC15H10Cl2FN3
Molecular Weight322.17 g/mol
Exact Mass321.02
IUPAC Name1-(2,4-dichlorophenyl)-3-(4-fluorophenyl)pyrazol-4-amine
SMILESNc1cn(-c2ccc(Cl)cc2Cl)nc1-c1ccc(F)cc1
InChIInChI=1S/C15H10Cl2FN3/c16-10-3-6-14(12(17)7-10)21-8-13(19)15(20-21)9-1-4-11(18)5-2-9/h1-8H,19H2
InChIKeyDEAKLWSKIZSBRK-UHFFFAOYSA-N
XLogP4.57
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.17
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-(4-fluorophenyl)pyrazol-4-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-(4-fluorophenyl)pyrazol-4-amine (CID 83203120) is 1-(2,4-dichlorophenyl)-3-(4-fluorophenyl)pyrazol-4-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-(4-fluorophenyl)pyrazol-4-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-(4-fluorophenyl)pyrazol-4-amine is Nc1cn(-c2ccc(Cl)cc2Cl)nc1-c1ccc(F)cc1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-(4-fluorophenyl)pyrazol-4-amine?
The InChIKey is DEAKLWSKIZSBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2FN3/c16-10-3-6-14(12(17)7-10)21-8-13(19)15(20-21)9-1-4-11(18)5-2-9/h1-8H,19H2.
What are the key properties of 1-(2,4-dichlorophenyl)-3-(4-fluorophenyl)pyrazol-4-amine?
1-(2,4-dichlorophenyl)-3-(4-fluorophenyl)pyrazol-4-amine has a molecular weight of 322.17 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-(4-fluorophenyl)pyrazol-4-amine is sourced from PubChem (CID 83203120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).