4-deuterio-5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole

C6H5F5N2O — CID 175755015

IUPAC4-deuterio-5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole
SMILES[2H]c1c(C(F)(F)F)nn(C)c1OC(F)F
InChIInChI=1S/C6H5F5N2O/c1-13-4(14-5(7)8)2-3(12-13)6(9,10)11/h2,5H,1H3/i2D
InChIKeyDLWVOWQFNAIZHY-VMNATFBRSA-N
MW217.12 g/mol
LogP2.04
Rot. Bonds2

About 4-deuterio-5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole

4-deuterio-5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole (PubChem CID 175755015) has the molecular formula C6H5F5N2O and a molecular weight of 217.12 g/mol. Its IUPAC name is 4-deuterio-5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-deuterio-5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole
PubChem CID175755015
Molecular FormulaC6H5F5N2O
Molecular Weight217.12 g/mol
Exact Mass217.04
IUPAC Name4-deuterio-5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole
SMILES[2H]c1c(C(F)(F)F)nn(C)c1OC(F)F
InChIInChI=1S/C6H5F5N2O/c1-13-4(14-5(7)8)2-3(12-13)6(9,10)11/h2,5H,1H3/i2D
InChIKeyDLWVOWQFNAIZHY-VMNATFBRSA-N
XLogP2.04
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.12
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2,6-bis[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy]pyridine
CID 22572630
4-[5-(difluoromethoxy)-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid
CID 18449043
2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-propan-2-yloxypyridine
CID 70798101
5-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine
CID 19436808
[1-methyl-3-(trifluoromethyl)pyrazol-5-yl] 4-(trifluoromethyl)benzenesulfonate
CID 2807897
1-methyl-5-methylsulfonyl-3-(trifluoromethyl)pyrazole
CID 59356398
1-(difluoromethyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one
CID 162651648
1-methyl-3-(trifluoromethyl)pyrazole-5-carbothialdehyde
CID 175261994
5-ethoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine
CID 91338292
6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine
CID 90184798
N-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazol-5-amine
CID 163590707
2-iodo-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine
CID 12056712

Frequently Asked Questions

What is the IUPAC name of 4-deuterio-5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 4-deuterio-5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole (CID 175755015) is 4-deuterio-5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-deuterio-5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-deuterio-5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole is [2H]c1c(C(F)(F)F)nn(C)c1OC(F)F.
What is the InChIKey of 4-deuterio-5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole?
The InChIKey is DLWVOWQFNAIZHY-VMNATFBRSA-N. The full InChI is InChI=1S/C6H5F5N2O/c1-13-4(14-5(7)8)2-3(12-13)6(9,10)11/h2,5H,1H3/i2D.
What are the key properties of 4-deuterio-5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole?
4-deuterio-5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole has a molecular weight of 217.12 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-deuterio-5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 175755015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).