4-chloro-3-phenyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole

C13H12ClF3N2 — CID 59833765

IUPAC4-chloro-3-phenyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole
SMILESCC(C)n1nc(-c2ccccc2)c(Cl)c1C(F)(F)F
InChIInChI=1S/C13H12ClF3N2/c1-8(2)19-12(13(15,16)17)10(14)11(18-19)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyWDJOKBDBSPKGPA-UHFFFAOYSA-N
MW288.70 g/mol
LogP4.80
Rot. Bonds2

About 4-chloro-3-phenyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole

4-chloro-3-phenyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole (PubChem CID 59833765) has the molecular formula C13H12ClF3N2 and a molecular weight of 288.70 g/mol. Its IUPAC name is 4-chloro-3-phenyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-chloro-3-phenyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole
PubChem CID59833765
Molecular FormulaC13H12ClF3N2
Molecular Weight288.70 g/mol
Exact Mass288.06
IUPAC Name4-chloro-3-phenyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole
SMILESCC(C)n1nc(-c2ccccc2)c(Cl)c1C(F)(F)F
InChIInChI=1S/C13H12ClF3N2/c1-8(2)19-12(13(15,16)17)10(14)11(18-19)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyWDJOKBDBSPKGPA-UHFFFAOYSA-N
XLogP4.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.70
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-phenyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 4-chloro-3-phenyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole (CID 59833765) is 4-chloro-3-phenyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-chloro-3-phenyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-chloro-3-phenyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole is CC(C)n1nc(-c2ccccc2)c(Cl)c1C(F)(F)F.
What is the InChIKey of 4-chloro-3-phenyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole?
The InChIKey is WDJOKBDBSPKGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N2/c1-8(2)19-12(13(15,16)17)10(14)11(18-19)9-6-4-3-5-7-9/h3-8H,1-2H3.
What are the key properties of 4-chloro-3-phenyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole?
4-chloro-3-phenyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole has a molecular weight of 288.70 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-phenyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 59833765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).