1-(4-chlorophenyl)-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine

C16H11ClF3N3 — CID 71384169

IUPAC1-(4-chlorophenyl)-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine
SMILESNc1c(-c2ccccc2)c(C(F)(F)F)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClF3N3/c17-11-6-8-12(9-7-11)23-15(21)13(10-4-2-1-3-5-10)14(22-23)16(18,19)20/h1-9H,21H2
InChIKeyWLCANRNLKBQIFB-UHFFFAOYSA-N
MW337.73 g/mol
LogP4.79
Rot. Bonds2

About 1-(4-chlorophenyl)-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine

1-(4-chlorophenyl)-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 71384169) has the molecular formula C16H11ClF3N3 and a molecular weight of 337.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID71384169
Molecular FormulaC16H11ClF3N3
Molecular Weight337.73 g/mol
Exact Mass337.06
IUPAC Name1-(4-chlorophenyl)-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine
SMILESNc1c(-c2ccccc2)c(C(F)(F)F)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClF3N3/c17-11-6-8-12(9-7-11)23-15(21)13(10-4-2-1-3-5-10)14(22-23)16(18,19)20/h1-9H,21H2
InChIKeyWLCANRNLKBQIFB-UHFFFAOYSA-N
XLogP4.79
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.73
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Pyrazol-5-amine, 1-(4-chlorophenyl)-3-methyl-
CID 170301
3-Methyl-1,4-diphenyl-1H-pyrazol-5-amine
CID 619285
1-(3-chlorophenyl)-4-phenyl-1H-pyrazol-5-ylamine
CID 3717260
1,3-Diphenyl-1H-pyrazol-5-amine
CID 199969
1-(4-Fluorophenyl)-3-(4-methylphenyl)-1H-pyrazol-5-amine
CID 1478026
3-(3-Methylphenyl)-1-phenyl-1H-pyrazol-5-ylamine
CID 2060622
3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2769585
4-(4-chlorophenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2743446
3-(4-Methylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 854142
4-(3-Chlorophenyl)-2-phenylpyrazol-3-amine
CID 3569800
1,5-Bis-(4-chloro-phenyl)-3-trifluoromethyl-1H-pyrazole
CID 10021211
1-(4-Chlorophenyl)-4-(4-fluorophenyl)-3-pyridin-4-ylpyrazol-5-amine
CID 56950882

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 1-(4-chlorophenyl)-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine (CID 71384169) is 1-(4-chlorophenyl)-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 1-(4-chlorophenyl)-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine is Nc1c(-c2ccccc2)c(C(F)(F)F)nn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is WLCANRNLKBQIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N3/c17-11-6-8-12(9-7-11)23-15(21)13(10-4-2-1-3-5-10)14(22-23)16(18,19)20/h1-9H,21H2.
What are the key properties of 1-(4-chlorophenyl)-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine?
1-(4-chlorophenyl)-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 337.73 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 71384169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).