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

C14H9Cl3N4 — CID 56950878

IUPAC3-pyridin-4-yl-1-(2,4,6-trichlorophenyl)pyrazol-5-amine
SMILESNc1cc(-c2ccncc2)nn1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl3N4/c15-9-5-10(16)14(11(17)6-9)21-13(18)7-12(20-21)8-1-3-19-4-2-8/h1-7H,18H2
InChIKeyVCCMPDALPAMAII-UHFFFAOYSA-N
MW339.61 g/mol
LogP4.48
Rot. Bonds2

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

3-pyridin-4-yl-1-(2,4,6-trichlorophenyl)pyrazol-5-amine (PubChem CID 56950878) has the molecular formula C14H9Cl3N4 and a molecular weight of 339.61 g/mol. Its IUPAC name is 3-pyridin-4-yl-1-(2,4,6-trichlorophenyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-pyridin-4-yl-1-(2,4,6-trichlorophenyl)pyrazol-5-amine
PubChem CID56950878
Molecular FormulaC14H9Cl3N4
Molecular Weight339.61 g/mol
Exact Mass337.99
IUPAC Name3-pyridin-4-yl-1-(2,4,6-trichlorophenyl)pyrazol-5-amine
SMILESNc1cc(-c2ccncc2)nn1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl3N4/c15-9-5-10(16)14(11(17)6-9)21-13(18)7-12(20-21)8-1-3-19-4-2-8/h1-7H,18H2
InChIKeyVCCMPDALPAMAII-UHFFFAOYSA-N
XLogP4.48
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.61
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-1-(2,4,6-trichlorophenyl)pyrazol-5-amine?
The IUPAC name of 3-pyridin-4-yl-1-(2,4,6-trichlorophenyl)pyrazol-5-amine (CID 56950878) is 3-pyridin-4-yl-1-(2,4,6-trichlorophenyl)pyrazol-5-amine.
What is the SMILES notation for 3-pyridin-4-yl-1-(2,4,6-trichlorophenyl)pyrazol-5-amine?
The canonical SMILES for 3-pyridin-4-yl-1-(2,4,6-trichlorophenyl)pyrazol-5-amine is Nc1cc(-c2ccncc2)nn1-c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 3-pyridin-4-yl-1-(2,4,6-trichlorophenyl)pyrazol-5-amine?
The InChIKey is VCCMPDALPAMAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3N4/c15-9-5-10(16)14(11(17)6-9)21-13(18)7-12(20-21)8-1-3-19-4-2-8/h1-7H,18H2.
What are the key properties of 3-pyridin-4-yl-1-(2,4,6-trichlorophenyl)pyrazol-5-amine?
3-pyridin-4-yl-1-(2,4,6-trichlorophenyl)pyrazol-5-amine has a molecular weight of 339.61 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-1-(2,4,6-trichlorophenyl)pyrazol-5-amine is sourced from PubChem (CID 56950878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).