5-(methoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole

C7H9F3N2O — CID 90167630

IUPAC5-(methoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCOCc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C7H9F3N2O/c1-12-5(4-13-2)3-6(11-12)7(8,9)10/h3H,4H2,1-2H3
InChIKeyXMAHWMKPMFMRBC-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.59
Rot. Bonds2

About 5-(methoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole

5-(methoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole (PubChem CID 90167630) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 5-(methoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-(methoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole
PubChem CID90167630
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name5-(methoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCOCc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C7H9F3N2O/c1-12-5(4-13-2)3-6(11-12)7(8,9)10/h3H,4H2,1-2H3
InChIKeyXMAHWMKPMFMRBC-UHFFFAOYSA-N
XLogP1.59
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(methoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1,3-dimethyl-1H-pyrazol-5-yl)methanol
CID 2776363
(1,5-Dimethyl-1H-Pyrazol-3-Yl)Methanol
CID 2776366
1-Methyl-5-(trifluoromethyl)-1H-pyrazole-3-methanol
CID 50896703
1-(1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)ethanol
CID 75175983
1-Methyl-3,5-bis(hydroxymethyl)-pyrazole
CID 84648737
(1-ethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)methanol
CID 25247664
2-((1-Ethyl-3-(trifluoromethyl)-1h-pyrazol-5-yl)methoxy)ethan-1-amine
CID 25248679
1-Ethyl-5-(trifluoromethyl)-1H-pyrazole-3-methanol
CID 50896820
4-methoxy-2-(trifluoromethyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine
CID 57973785
4-Methoxy-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine
CID 57973803
3-Cyclopropyl-5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole
CID 58044357
(1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)methanol
CID 58456726

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-(methoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole (CID 90167630) is 5-(methoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-(methoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-(methoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole is COCc1cc(C(F)(F)F)nn1C.
What is the InChIKey of 5-(methoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole?
The InChIKey is XMAHWMKPMFMRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-12-5(4-13-2)3-6(11-12)7(8,9)10/h3H,4H2,1-2H3.
What are the key properties of 5-(methoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole?
5-(methoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole has a molecular weight of 194.16 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 90167630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).