4-(2-chloro-6-fluorophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine

C17H12ClF4N3 — CID 100560606

IUPAC4-(2-chloro-6-fluorophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESCc1ccc(-n2nc(C(F)(F)F)c(-c3c(F)cccc3Cl)c2N)cc1
InChIInChI=1S/C17H12ClF4N3/c1-9-5-7-10(8-6-9)25-16(23)14(15(24-25)17(20,21)22)13-11(18)3-2-4-12(13)19/h2-8H,23H2,1H3
InChIKeyFIKMHJBAYOCITA-UHFFFAOYSA-N
MW369.75 g/mol
LogP5.24
Rot. Bonds2

About 4-(2-chloro-6-fluorophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine

4-(2-chloro-6-fluorophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 100560606) has the molecular formula C17H12ClF4N3 and a molecular weight of 369.75 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID100560606
Molecular FormulaC17H12ClF4N3
Molecular Weight369.75 g/mol
Exact Mass369.07
IUPAC Name4-(2-chloro-6-fluorophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESCc1ccc(-n2nc(C(F)(F)F)c(-c3c(F)cccc3Cl)c2N)cc1
InChIInChI=1S/C17H12ClF4N3/c1-9-5-7-10(8-6-9)25-16(23)14(15(24-25)17(20,21)22)13-11(18)3-2-4-12(13)19/h2-8H,23H2,1H3
InChIKeyFIKMHJBAYOCITA-UHFFFAOYSA-N
XLogP5.24
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.75
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,6-dichlorophenyl)-1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine
CID 100560803
4-(4-bromophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine
CID 100560964
1-(4-chlorophenyl)-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine
CID 71384169
4-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine
CID 100561110
4-[5-fluoro-4-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 169097295
4-(3,4-dichlorophenyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
CID 66875265
4-(2-chlorophenyl)-5-(4-methylsulfonylphenyl)-1-phenyl-3-(trifluoromethyl)pyrazole
CID 19041362
4-(4-methoxyphenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 100561144
6-(2-chloro-6-fluorophenyl)-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-amine
CID 136929446
4-(3,4-dimethoxyphenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 100561206
5-bromo-4-(4-chlorophenyl)-1-phenyl-3-(trifluoromethyl)pyrazole
CID 10431181
5-(2-chloro-6-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66200268

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine (CID 100560606) is 4-(2-chloro-6-fluorophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine is Cc1ccc(-n2nc(C(F)(F)F)c(-c3c(F)cccc3Cl)c2N)cc1.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is FIKMHJBAYOCITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF4N3/c1-9-5-7-10(8-6-9)25-16(23)14(15(24-25)17(20,21)22)13-11(18)3-2-4-12(13)19/h2-8H,23H2,1H3.
What are the key properties of 4-(2-chloro-6-fluorophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine?
4-(2-chloro-6-fluorophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 369.75 g/mol, XLogP of 5.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluorophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 100560606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).