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

C11H8ClF4N3 — CID 63037932

IUPAC4-(2-chloro-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCn1nc(C(F)(F)F)c(-c2ccc(F)cc2Cl)c1N
InChIInChI=1S/C11H8ClF4N3/c1-19-10(17)8(9(18-19)11(14,15)16)6-3-2-5(13)4-7(6)12/h2-4H,17H2,1H3
InChIKeyGEGOPAMVKLAISF-UHFFFAOYSA-N
MW293.65 g/mol
LogP3.48
Rot. Bonds1

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

4-(2-chloro-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 63037932) has the molecular formula C11H8ClF4N3 and a molecular weight of 293.65 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID63037932
Molecular FormulaC11H8ClF4N3
Molecular Weight293.65 g/mol
Exact Mass293.03
IUPAC Name4-(2-chloro-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCn1nc(C(F)(F)F)c(-c2ccc(F)cc2Cl)c1N
InChIInChI=1S/C11H8ClF4N3/c1-19-10(17)8(9(18-19)11(14,15)16)6-3-2-5(13)4-7(6)12/h2-4H,17H2,1H3
InChIKeyGEGOPAMVKLAISF-UHFFFAOYSA-N
XLogP3.48
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.65
LogP ≤ 53.48
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-methyl-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine (CID 63037932) is 4-(2-chloro-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine is Cn1nc(C(F)(F)F)c(-c2ccc(F)cc2Cl)c1N.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is GEGOPAMVKLAISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF4N3/c1-19-10(17)8(9(18-19)11(14,15)16)6-3-2-5(13)4-7(6)12/h2-4H,17H2,1H3.
What are the key properties of 4-(2-chloro-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine?
4-(2-chloro-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 293.65 g/mol, XLogP of 3.48, 1 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-methyl-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 63037932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).