1-methyl-5-(2,2,2-trifluoroethoxy)pyrazole

C6H7F3N2O — CID 141420719

IUPAC1-methyl-5-(2,2,2-trifluoroethoxy)pyrazole
SMILESCn1nccc1OCC(F)(F)F
InChIInChI=1S/C6H7F3N2O/c1-11-5(2-3-10-11)12-4-6(7,8)9/h2-3H,4H2,1H3
InChIKeyGVSRBDHMQQLHAF-UHFFFAOYSA-N
MW180.13 g/mol
LogP1.36
Rot. Bonds2

About 1-methyl-5-(2,2,2-trifluoroethoxy)pyrazole

1-methyl-5-(2,2,2-trifluoroethoxy)pyrazole (PubChem CID 141420719) has the molecular formula C6H7F3N2O and a molecular weight of 180.13 g/mol. Its IUPAC name is 1-methyl-5-(2,2,2-trifluoroethoxy)pyrazole.

Molecular Properties

Compound Name1-methyl-5-(2,2,2-trifluoroethoxy)pyrazole
PubChem CID141420719
Molecular FormulaC6H7F3N2O
Molecular Weight180.13 g/mol
Exact Mass180.05
IUPAC Name1-methyl-5-(2,2,2-trifluoroethoxy)pyrazole
SMILESCn1nccc1OCC(F)(F)F
InChIInChI=1S/C6H7F3N2O/c1-11-5(2-3-10-11)12-4-6(7,8)9/h2-3H,4H2,1H3
InChIKeyGVSRBDHMQQLHAF-UHFFFAOYSA-N
XLogP1.36
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methoxy-1-methyl-1H-pyrazole
CID 18622370
5H,6H,7H-pyrazolo[3,2-b][1,3]oxazine
CID 69188689
tert-butyl 3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazole-1-carboxylate
CID 134587384
3-(difluoromethoxy)-1-methyl-1H-pyrazole
CID 19424663
3-(Fluoromethoxy)-1-methylpyrazole
CID 70195105
5-(Difluoromethoxy)-1-methylpyrazole
CID 90773700
1-[3-(Difluoromethoxy)pyrazol-1-yl]ethanone
CID 118164882
1-(Difluoromethyl)-3-ethoxy-1H-pyrazole
CID 118164917
3-(Difluoromethoxy)-1-ethylpyrazole
CID 118165035
4-(Difluoromethyl)-5-ethoxy-1-methylpyrazole
CID 118271004
1-Methyl-5-(trifluoromethoxy)pyrazole
CID 123205846
1-Methyl-3-(trifluoromethoxy)pyrazole
CID 123231295

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2,2,2-trifluoroethoxy)pyrazole?
The IUPAC name of 1-methyl-5-(2,2,2-trifluoroethoxy)pyrazole (CID 141420719) is 1-methyl-5-(2,2,2-trifluoroethoxy)pyrazole.
What is the SMILES notation for 1-methyl-5-(2,2,2-trifluoroethoxy)pyrazole?
The canonical SMILES for 1-methyl-5-(2,2,2-trifluoroethoxy)pyrazole is Cn1nccc1OCC(F)(F)F.
What is the InChIKey of 1-methyl-5-(2,2,2-trifluoroethoxy)pyrazole?
The InChIKey is GVSRBDHMQQLHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O/c1-11-5(2-3-10-11)12-4-6(7,8)9/h2-3H,4H2,1H3.
What are the key properties of 1-methyl-5-(2,2,2-trifluoroethoxy)pyrazole?
1-methyl-5-(2,2,2-trifluoroethoxy)pyrazole has a molecular weight of 180.13 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2,2,2-trifluoroethoxy)pyrazole is sourced from PubChem (CID 141420719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).