4-(4-fluorophenyl)-3-pyridin-4-yl-1-(2,4,6-trichlorophenyl)pyrazol-5-amine

C20H12Cl3FN4 — CID 56924694

IUPAC4-(4-fluorophenyl)-3-pyridin-4-yl-1-(2,4,6-trichlorophenyl)pyrazol-5-amine
SMILESNc1c(-c2ccc(F)cc2)c(-c2ccncc2)nn1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C20H12Cl3FN4/c21-13-9-15(22)19(16(23)10-13)28-20(25)17(11-1-3-14(24)4-2-11)18(27-28)12-5-7-26-8-6-12/h1-10H,25H2
InChIKeyMOHYPRXHKRXDSE-UHFFFAOYSA-N
MW433.70 g/mol
LogP6.28
Rot. Bonds3

About 4-(4-fluorophenyl)-3-pyridin-4-yl-1-(2,4,6-trichlorophenyl)pyrazol-5-amine

4-(4-fluorophenyl)-3-pyridin-4-yl-1-(2,4,6-trichlorophenyl)pyrazol-5-amine (PubChem CID 56924694) has the molecular formula C20H12Cl3FN4 and a molecular weight of 433.70 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-pyridin-4-yl-1-(2,4,6-trichlorophenyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-pyridin-4-yl-1-(2,4,6-trichlorophenyl)pyrazol-5-amine
PubChem CID56924694
Molecular FormulaC20H12Cl3FN4
Molecular Weight433.70 g/mol
Exact Mass432.01
IUPAC Name4-(4-fluorophenyl)-3-pyridin-4-yl-1-(2,4,6-trichlorophenyl)pyrazol-5-amine
SMILESNc1c(-c2ccc(F)cc2)c(-c2ccncc2)nn1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C20H12Cl3FN4/c21-13-9-15(22)19(16(23)10-13)28-20(25)17(11-1-3-14(24)4-2-11)18(27-28)12-5-7-26-8-6-12/h1-10H,25H2
InChIKeyMOHYPRXHKRXDSE-UHFFFAOYSA-N
XLogP6.28
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.70
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-pyridin-4-yl-1-(2,4,6-trichlorophenyl)pyrazol-5-amine?
The IUPAC name of 4-(4-fluorophenyl)-3-pyridin-4-yl-1-(2,4,6-trichlorophenyl)pyrazol-5-amine (CID 56924694) is 4-(4-fluorophenyl)-3-pyridin-4-yl-1-(2,4,6-trichlorophenyl)pyrazol-5-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-3-pyridin-4-yl-1-(2,4,6-trichlorophenyl)pyrazol-5-amine?
The canonical SMILES for 4-(4-fluorophenyl)-3-pyridin-4-yl-1-(2,4,6-trichlorophenyl)pyrazol-5-amine is Nc1c(-c2ccc(F)cc2)c(-c2ccncc2)nn1-c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 4-(4-fluorophenyl)-3-pyridin-4-yl-1-(2,4,6-trichlorophenyl)pyrazol-5-amine?
The InChIKey is MOHYPRXHKRXDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl3FN4/c21-13-9-15(22)19(16(23)10-13)28-20(25)17(11-1-3-14(24)4-2-11)18(27-28)12-5-7-26-8-6-12/h1-10H,25H2.
What are the key properties of 4-(4-fluorophenyl)-3-pyridin-4-yl-1-(2,4,6-trichlorophenyl)pyrazol-5-amine?
4-(4-fluorophenyl)-3-pyridin-4-yl-1-(2,4,6-trichlorophenyl)pyrazol-5-amine has a molecular weight of 433.70 g/mol, XLogP of 6.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-pyridin-4-yl-1-(2,4,6-trichlorophenyl)pyrazol-5-amine is sourced from PubChem (CID 56924694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).