1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazole

C7H9F3N2O — CID 141344152

IUPAC1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazole
SMILESCOCCn1nccc1C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-13-5-4-12-6(2-3-11-12)7(8,9)10/h2-3H,4-5H2,1H3
InChIKeyRIZUSFXQIDAJPA-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.55
Rot. Bonds3

About 1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazole

1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazole (PubChem CID 141344152) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazole
PubChem CID141344152
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazole
SMILESCOCCn1nccc1C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-13-5-4-12-6(2-3-11-12)7(8,9)10/h2-3H,4-5H2,1H3
InChIKeyRIZUSFXQIDAJPA-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-[5-(Trifluoromethyl)pyrazol-1-yl]ethanol
CID 83828147
1-(prop-2-yn-1-yl)-3-(trifluoromethyl)-1H-pyrazole
CID 2780402
Ethyl 3-methyl-1H-pyrazole-1-acetate
CID 4578874
5-(Trifluoromethyl)-1H-pyrazole-1-acetic acid
CID 11127131
1-(2-methoxyethyl)-3-methyl-1H-pyrazol-4-amine
CID 69281507
1-Pyrrolidin-1-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 2809229
1-Methyl-3-(trifluoromethyl)-1H-pyrazole
CID 2780404
2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanol
CID 19616490
3-(Difluoromethyl)-1-methyl-1H-pyrazole
CID 54241061

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazole (CID 141344152) is 1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazole is COCCn1nccc1C(F)(F)F.
What is the InChIKey of 1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazole?
The InChIKey is RIZUSFXQIDAJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-13-5-4-12-6(2-3-11-12)7(8,9)10/h2-3H,4-5H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazole?
1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazole has a molecular weight of 194.16 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 141344152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).