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

C16H11ClF3N3O — CID 2820830

IUPAC1-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine
SMILESNc1cc(-c2ccc(OC(F)(F)F)cc2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClF3N3O/c17-11-3-5-12(6-4-11)23-15(21)9-14(22-23)10-1-7-13(8-2-10)24-16(18,19)20/h1-9H,21H2
InChIKeyKONPRSZFRYBETK-UHFFFAOYSA-N
MW353.73 g/mol
LogP4.67
Rot. Bonds3

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

1-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine (PubChem CID 2820830) has the molecular formula C16H11ClF3N3O and a molecular weight of 353.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine
PubChem CID2820830
Molecular FormulaC16H11ClF3N3O
Molecular Weight353.73 g/mol
Exact Mass353.05
IUPAC Name1-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine
SMILESNc1cc(-c2ccc(OC(F)(F)F)cc2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClF3N3O/c17-11-3-5-12(6-4-11)23-15(21)9-14(22-23)10-1-7-13(8-2-10)24-16(18,19)20/h1-9H,21H2
InChIKeyKONPRSZFRYBETK-UHFFFAOYSA-N
XLogP4.67
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.73
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-Dichloro-phenyl)-5-(4-methoxy-phenyl)-3H-[1,2,3]triazol-4-ylamine
CID 2738977
1-(3,4-dimethylphenyl)-3-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-5-amine
CID 2742740
1-(4-Chloro-phenyl)-5-(4-methoxy-phenyl)-3-trifluoromethyl-1H-pyrazole
CID 10360688
4-(4-methoxyphenyl)-3-methyl-1-phenyl-1H-pyrazol-5-amine
CID 970459
3-amino-N-(4-chlorophenyl)-5-(3-methoxyphenyl)pyrazole-1-carboxamide
CID 5309448
2-(3,4-Dichlorophenyl)-5-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine
CID 2820855
N-[1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-3-fluorobenzenesulfonamide
CID 2742750
1-(4-Methoxyphenyl)-3-phenyl-1H-pyrazol-5-ylamine
CID 4121554
1-[5-(4-Chlorophenyl)-2-(4-fluorophenyl)pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 2742780
3-(3-methoxyphenyl)-1-(4-methylphenyl)-1H-pyrazol-5-amine
CID 16228238
1-[3-Tert-butyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]-3-(4-chlorophenyl)urea
CID 162655833
1-(4-Chlorophenyl)-3-[3-cyclopropyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]urea
CID 162669617

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine?
The IUPAC name of 1-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine (CID 2820830) is 1-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine?
The canonical SMILES for 1-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine is Nc1cc(-c2ccc(OC(F)(F)F)cc2)nn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine?
The InChIKey is KONPRSZFRYBETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N3O/c17-11-3-5-12(6-4-11)23-15(21)9-14(22-23)10-1-7-13(8-2-10)24-16(18,19)20/h1-9H,21H2.
What are the key properties of 1-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine?
1-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine has a molecular weight of 353.73 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine is sourced from PubChem (CID 2820830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).