4-(2-chloro-4-fluorophenyl)-1,3-dimethyl-N-(2,4,6-trifluorophenyl)pyrazol-5-amine

C17H12ClF4N3 — CID 66613325

IUPAC4-(2-chloro-4-fluorophenyl)-1,3-dimethyl-N-(2,4,6-trifluorophenyl)pyrazol-5-amine
SMILESCc1nn(C)c(Nc2c(F)cc(F)cc2F)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C17H12ClF4N3/c1-8-15(11-4-3-9(19)5-12(11)18)17(25(2)24-8)23-16-13(21)6-10(20)7-14(16)22/h3-7,23H,1-2H3
InChIKeyCQCKUFBAPXFDHZ-UHFFFAOYSA-N
MW369.75 g/mol
LogP5.35
Rot. Bonds3

About 4-(2-chloro-4-fluorophenyl)-1,3-dimethyl-N-(2,4,6-trifluorophenyl)pyrazol-5-amine

4-(2-chloro-4-fluorophenyl)-1,3-dimethyl-N-(2,4,6-trifluorophenyl)pyrazol-5-amine (PubChem CID 66613325) has the molecular formula C17H12ClF4N3 and a molecular weight of 369.75 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)-1,3-dimethyl-N-(2,4,6-trifluorophenyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)-1,3-dimethyl-N-(2,4,6-trifluorophenyl)pyrazol-5-amine
PubChem CID66613325
Molecular FormulaC17H12ClF4N3
Molecular Weight369.75 g/mol
Exact Mass369.07
IUPAC Name4-(2-chloro-4-fluorophenyl)-1,3-dimethyl-N-(2,4,6-trifluorophenyl)pyrazol-5-amine
SMILESCc1nn(C)c(Nc2c(F)cc(F)cc2F)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C17H12ClF4N3/c1-8-15(11-4-3-9(19)5-12(11)18)17(25(2)24-8)23-16-13(21)6-10(20)7-14(16)22/h3-7,23H,1-2H3
InChIKeyCQCKUFBAPXFDHZ-UHFFFAOYSA-N
XLogP5.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.75
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenyl)-1,3-dimethyl-N-(2,4,6-trifluorophenyl)pyrazol-5-amine?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)-1,3-dimethyl-N-(2,4,6-trifluorophenyl)pyrazol-5-amine (CID 66613325) is 4-(2-chloro-4-fluorophenyl)-1,3-dimethyl-N-(2,4,6-trifluorophenyl)pyrazol-5-amine.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)-1,3-dimethyl-N-(2,4,6-trifluorophenyl)pyrazol-5-amine?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)-1,3-dimethyl-N-(2,4,6-trifluorophenyl)pyrazol-5-amine is Cc1nn(C)c(Nc2c(F)cc(F)cc2F)c1-c1ccc(F)cc1Cl.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)-1,3-dimethyl-N-(2,4,6-trifluorophenyl)pyrazol-5-amine?
The InChIKey is CQCKUFBAPXFDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF4N3/c1-8-15(11-4-3-9(19)5-12(11)18)17(25(2)24-8)23-16-13(21)6-10(20)7-14(16)22/h3-7,23H,1-2H3.
What are the key properties of 4-(2-chloro-4-fluorophenyl)-1,3-dimethyl-N-(2,4,6-trifluorophenyl)pyrazol-5-amine?
4-(2-chloro-4-fluorophenyl)-1,3-dimethyl-N-(2,4,6-trifluorophenyl)pyrazol-5-amine has a molecular weight of 369.75 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenyl)-1,3-dimethyl-N-(2,4,6-trifluorophenyl)pyrazol-5-amine is sourced from PubChem (CID 66613325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).