5-(difluoromethyl)-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole;5-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole

C18H24F8N4 — CID 169167107

IUPAC5-(difluoromethyl)-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole;5-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCC(C)c1cnn(CC(F)(F)F)c1C(F)F.Cc1c(C(C)C)cnn1CC(F)(F)F
InChIInChI=1S/C9H11F5N2.C9H13F3N2/c1-5(2)6-3-15-16(4-9(12,13)14)7(6)8(10)11;1-6(2)8-4-13-14(7(8)3)5-9(10,11)12/h3,5,8H,4H2,1-2H3;4,6H,5H2,1-3H3
InChIKeyPDAVTRHMFOIAPG-UHFFFAOYSA-N
MW448.40 g/mol
LogP6.38
Rot. Bonds5

About 5-(difluoromethyl)-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole;5-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole

5-(difluoromethyl)-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole;5-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole (PubChem CID 169167107) has the molecular formula C18H24F8N4 and a molecular weight of 448.40 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole;5-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole.

Molecular Properties

Compound Name5-(difluoromethyl)-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole;5-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
PubChem CID169167107
Molecular FormulaC18H24F8N4
Molecular Weight448.40 g/mol
Exact Mass448.19
IUPAC Name5-(difluoromethyl)-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole;5-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCC(C)c1cnn(CC(F)(F)F)c1C(F)F.Cc1c(C(C)C)cnn1CC(F)(F)F
InChIInChI=1S/C9H11F5N2.C9H13F3N2/c1-5(2)6-3-15-16(4-9(12,13)14)7(6)8(10)11;1-6(2)8-4-13-14(7(8)3)5-9(10,11)12/h3,5,8H,4H2,1-2H3;4,6H,5H2,1-3H3
InChIKeyPDAVTRHMFOIAPG-UHFFFAOYSA-N
XLogP6.38
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.40
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(difluoromethyl)-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole;5-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole;5-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole?
The IUPAC name of 5-(difluoromethyl)-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole;5-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole (CID 169167107) is 5-(difluoromethyl)-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole;5-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole.
What is the SMILES notation for 5-(difluoromethyl)-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole;5-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole?
The canonical SMILES for 5-(difluoromethyl)-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole;5-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole is CC(C)c1cnn(CC(F)(F)F)c1C(F)F.Cc1c(C(C)C)cnn1CC(F)(F)F.
What is the InChIKey of 5-(difluoromethyl)-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole;5-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole?
The InChIKey is PDAVTRHMFOIAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F5N2.C9H13F3N2/c1-5(2)6-3-15-16(4-9(12,13)14)7(6)8(10)11;1-6(2)8-4-13-14(7(8)3)5-9(10,11)12/h3,5,8H,4H2,1-2H3;4,6H,5H2,1-3H3.
What are the key properties of 5-(difluoromethyl)-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole;5-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole?
5-(difluoromethyl)-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole;5-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole has a molecular weight of 448.40 g/mol, XLogP of 6.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole;5-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole is sourced from PubChem (CID 169167107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).