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

C16H11ClF3N3 — CID 2764858

IUPAC4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
SMILESNc1c(-c2cccc(Cl)c2)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H11ClF3N3/c17-12-5-1-3-10(7-12)14-9-22-23(15(14)21)13-6-2-4-11(8-13)16(18,19)20/h1-9H,21H2
InChIKeySSEDHWCSGXSQLK-UHFFFAOYSA-N
MW337.73 g/mol
LogP4.79
Rot. Bonds2

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

4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine (PubChem CID 2764858) has the molecular formula C16H11ClF3N3 and a molecular weight of 337.73 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
PubChem CID2764858
Molecular FormulaC16H11ClF3N3
Molecular Weight337.73 g/mol
Exact Mass337.06
IUPAC Name4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
SMILESNc1c(-c2cccc(Cl)c2)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H11ClF3N3/c17-12-5-1-3-10(7-12)14-9-22-23(15(14)21)13-6-2-4-11(8-13)16(18,19)20/h1-9H,21H2
InChIKeySSEDHWCSGXSQLK-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

1-(3-chlorophenyl)-4-phenyl-1H-pyrazol-5-ylamine
CID 3717260
1,4-diphenyl-1H-pyrazol-5-amine
CID 4669245
4-(3-chlorophenyl)-1-(3-nitrophenyl)-1H-pyrazol-5-amine
CID 3809886
4-(4-chlorophenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2743446
4-(3-methylphenyl)-1-phenyl-1H-pyrazol-5-ylamine
CID 2764841
4-(4-Methylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2764845
4-(3-Chlorophenyl)-2-phenylpyrazol-3-amine
CID 3569800
4-(4-chlorophenyl)-1-(3-nitrophenyl)-1H-pyrazol-5-amine
CID 3674519
1-(4-Chlorophenyl)-4-(4-fluorophenyl)-3-pyridin-4-ylpyrazol-5-amine
CID 56950882
4-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
CID 2764851
4-(4-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
CID 3345844
4-phenyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
CID 4315883

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine?
The IUPAC name of 4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine (CID 2764858) is 4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine?
The canonical SMILES for 4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine is Nc1c(-c2cccc(Cl)c2)cnn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine?
The InChIKey is SSEDHWCSGXSQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N3/c17-12-5-1-3-10(7-12)14-9-22-23(15(14)21)13-6-2-4-11(8-13)16(18,19)20/h1-9H,21H2.
What are the key properties of 4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine?
4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]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 4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine is sourced from PubChem (CID 2764858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).