5-(difluoromethoxy)-4-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole

C9H11F5N2O — CID 23075699

IUPAC5-(difluoromethoxy)-4-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCc1c(C(F)(F)F)nn(C(C)C)c1OC(F)F
InChIInChI=1S/C9H11F5N2O/c1-4(2)16-7(17-8(10)11)5(3)6(15-16)9(12,13)14/h4,8H,1-3H3
InChIKeyAIQSJTPGHNSNAG-UHFFFAOYSA-N
MW258.19 g/mol
LogP3.39
Rot. Bonds3

About 5-(difluoromethoxy)-4-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole

5-(difluoromethoxy)-4-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole (PubChem CID 23075699) has the molecular formula C9H11F5N2O and a molecular weight of 258.19 g/mol. Its IUPAC name is 5-(difluoromethoxy)-4-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-(difluoromethoxy)-4-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole
PubChem CID23075699
Molecular FormulaC9H11F5N2O
Molecular Weight258.19 g/mol
Exact Mass258.08
IUPAC Name5-(difluoromethoxy)-4-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCc1c(C(F)(F)F)nn(C(C)C)c1OC(F)F
InChIInChI=1S/C9H11F5N2O/c1-4(2)16-7(17-8(10)11)5(3)6(15-16)9(12,13)14/h4,8H,1-3H3
InChIKeyAIQSJTPGHNSNAG-UHFFFAOYSA-N
XLogP3.39
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-4-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-(difluoromethoxy)-4-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole (CID 23075699) is 5-(difluoromethoxy)-4-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-(difluoromethoxy)-4-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-(difluoromethoxy)-4-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole is Cc1c(C(F)(F)F)nn(C(C)C)c1OC(F)F.
What is the InChIKey of 5-(difluoromethoxy)-4-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is AIQSJTPGHNSNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F5N2O/c1-4(2)16-7(17-8(10)11)5(3)6(15-16)9(12,13)14/h4,8H,1-3H3.
What are the key properties of 5-(difluoromethoxy)-4-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
5-(difluoromethoxy)-4-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole has a molecular weight of 258.19 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-4-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 23075699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).