3-methyl-1-(2,2,2-trifluoroethoxymethyl)pyrazole

C7H9F3N2O — CID 106706296

IUPAC3-methyl-1-(2,2,2-trifluoroethoxymethyl)pyrazole
SMILESCc1ccn(COCC(F)(F)F)n1
InChIInChI=1S/C7H9F3N2O/c1-6-2-3-12(11-6)5-13-4-7(8,9)10/h2-3H,4-5H2,1H3
InChIKeyCGAGVPHBKLJHJD-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.73
Rot. Bonds3

About 3-methyl-1-(2,2,2-trifluoroethoxymethyl)pyrazole

3-methyl-1-(2,2,2-trifluoroethoxymethyl)pyrazole (PubChem CID 106706296) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 3-methyl-1-(2,2,2-trifluoroethoxymethyl)pyrazole.

Molecular Properties

Compound Name3-methyl-1-(2,2,2-trifluoroethoxymethyl)pyrazole
PubChem CID106706296
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name3-methyl-1-(2,2,2-trifluoroethoxymethyl)pyrazole
SMILESCc1ccn(COCC(F)(F)F)n1
InChIInChI=1S/C7H9F3N2O/c1-6-2-3-12(11-6)5-13-4-7(8,9)10/h2-3H,4-5H2,1H3
InChIKeyCGAGVPHBKLJHJD-UHFFFAOYSA-N
XLogP1.73
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 79096
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CID 136502
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CID 127159
1-Methyl-5-(trifluoromethyl)-1H-pyrazole
CID 15420922
2-(3-Methyl-1H-pyrazol-1-yl)ethan-1-ol
CID 19621865
Ethyl 2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)acetate
CID 2064143
1-Ethenyl-5-methyl-1h-pyrazole
CID 186634
1H-Pyrazole, 1-ethenyl-3-methyl-
CID 3016825
2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanol
CID 19616490
2-[5-(Trifluoromethyl)pyrazol-1-yl]ethanol
CID 83828147
1-(prop-2-yn-1-yl)-3-(trifluoromethyl)-1H-pyrazole
CID 2780402
[1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-yl]methanamine
CID 60136536

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2,2,2-trifluoroethoxymethyl)pyrazole?
The IUPAC name of 3-methyl-1-(2,2,2-trifluoroethoxymethyl)pyrazole (CID 106706296) is 3-methyl-1-(2,2,2-trifluoroethoxymethyl)pyrazole.
What is the SMILES notation for 3-methyl-1-(2,2,2-trifluoroethoxymethyl)pyrazole?
The canonical SMILES for 3-methyl-1-(2,2,2-trifluoroethoxymethyl)pyrazole is Cc1ccn(COCC(F)(F)F)n1.
What is the InChIKey of 3-methyl-1-(2,2,2-trifluoroethoxymethyl)pyrazole?
The InChIKey is CGAGVPHBKLJHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-6-2-3-12(11-6)5-13-4-7(8,9)10/h2-3H,4-5H2,1H3.
What are the key properties of 3-methyl-1-(2,2,2-trifluoroethoxymethyl)pyrazole?
3-methyl-1-(2,2,2-trifluoroethoxymethyl)pyrazole has a molecular weight of 194.16 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2,2,2-trifluoroethoxymethyl)pyrazole is sourced from PubChem (CID 106706296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).