1-(4-chlorophenyl)-4-(4-fluorophenyl)-3-pyridin-4-ylpyrazol-5-amine

C20H14ClFN4 — CID 56950882

IUPAC1-(4-chlorophenyl)-4-(4-fluorophenyl)-3-pyridin-4-ylpyrazol-5-amine
SMILESNc1c(-c2ccc(F)cc2)c(-c2ccncc2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C20H14ClFN4/c21-15-3-7-17(8-4-15)26-20(23)18(13-1-5-16(22)6-2-13)19(25-26)14-9-11-24-12-10-14/h1-12H,23H2
InChIKeyQJVWSZUUCBXFHW-UHFFFAOYSA-N
MW364.81 g/mol
LogP4.98
Rot. Bonds3

About 1-(4-chlorophenyl)-4-(4-fluorophenyl)-3-pyridin-4-ylpyrazol-5-amine

1-(4-chlorophenyl)-4-(4-fluorophenyl)-3-pyridin-4-ylpyrazol-5-amine (PubChem CID 56950882) has the molecular formula C20H14ClFN4 and a molecular weight of 364.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-(4-fluorophenyl)-3-pyridin-4-ylpyrazol-5-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-(4-fluorophenyl)-3-pyridin-4-ylpyrazol-5-amine
PubChem CID56950882
Molecular FormulaC20H14ClFN4
Molecular Weight364.81 g/mol
Exact Mass364.09
IUPAC Name1-(4-chlorophenyl)-4-(4-fluorophenyl)-3-pyridin-4-ylpyrazol-5-amine
SMILESNc1c(-c2ccc(F)cc2)c(-c2ccncc2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C20H14ClFN4/c21-15-3-7-17(8-4-15)26-20(23)18(13-1-5-16(22)6-2-13)19(25-26)14-9-11-24-12-10-14/h1-12H,23H2
InChIKeyQJVWSZUUCBXFHW-UHFFFAOYSA-N
XLogP4.98
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.81
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Vatalanib
CID 151194
1-(5-(4-chlorophenyl)-4-(4-pyridinyl)-1H-pyrazol-3-yl)-4-methylpiperazine
CID 15541506
Vatalanib dihydrochloride
CID 22386467
1-(3-chlorophenyl)-4-phenyl-1H-pyrazol-5-ylamine
CID 3717260
N-(4-chlorophenyl)-4-(pyrimidin-4-ylmethyl)phthalazin-1-amine
CID 6326418
N-(4-chlorophenyl)-4-[(2-methylpyridin-4-yl)methyl]phthalazin-1-amine
CID 6326419
N-(4-chlorophenyl)-4-[1-(pyridin-4-yl)ethyl]phthalazin-1-amine
CID 6326422
N-(4-chlorophenyl)-1-(pyridin-4-ylmethyl)pyrido[3,4-d]pyridazin-4-amine
CID 6419381
N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)pyrido[3,4-d]pyridazin-1-amine
CID 6419382
N-(4-chlorophenyl)-4,5-dimethyl-6-(pyridin-4-ylmethyl)pyridazin-3-amine
CID 6419385
4-(4-Fluorophenyl)-3-pyridin-4-yl-1-(2,4,6-trichlorophenyl)pyrazol-5-amine
CID 56924694
4-Chloranyl-6-[4-[(3-fluorophenyl)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-amine
CID 164625671

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-(4-fluorophenyl)-3-pyridin-4-ylpyrazol-5-amine?
The IUPAC name of 1-(4-chlorophenyl)-4-(4-fluorophenyl)-3-pyridin-4-ylpyrazol-5-amine (CID 56950882) is 1-(4-chlorophenyl)-4-(4-fluorophenyl)-3-pyridin-4-ylpyrazol-5-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-(4-fluorophenyl)-3-pyridin-4-ylpyrazol-5-amine?
The canonical SMILES for 1-(4-chlorophenyl)-4-(4-fluorophenyl)-3-pyridin-4-ylpyrazol-5-amine is Nc1c(-c2ccc(F)cc2)c(-c2ccncc2)nn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-(4-fluorophenyl)-3-pyridin-4-ylpyrazol-5-amine?
The InChIKey is QJVWSZUUCBXFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4/c21-15-3-7-17(8-4-15)26-20(23)18(13-1-5-16(22)6-2-13)19(25-26)14-9-11-24-12-10-14/h1-12H,23H2.
What are the key properties of 1-(4-chlorophenyl)-4-(4-fluorophenyl)-3-pyridin-4-ylpyrazol-5-amine?
1-(4-chlorophenyl)-4-(4-fluorophenyl)-3-pyridin-4-ylpyrazol-5-amine has a molecular weight of 364.81 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-(4-fluorophenyl)-3-pyridin-4-ylpyrazol-5-amine is sourced from PubChem (CID 56950882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).