1-(methoxymethyl)-5-(4-methyloxan-2-yl)-3-(trifluoromethyl)pyrazole

C12H17F3N2O2 — CID 126764390

IUPAC1-(methoxymethyl)-5-(4-methyloxan-2-yl)-3-(trifluoromethyl)pyrazole
SMILESCOCn1nc(C(F)(F)F)cc1C1CC(C)CCO1
InChIInChI=1S/C12H17F3N2O2/c1-8-3-4-19-10(5-8)9-6-11(12(13,14)15)16-17(9)7-18-2/h6,8,10H,3-5,7H2,1-2H3
InChIKeyOJESTOLOZIVRMS-UHFFFAOYSA-N
MW278.27 g/mol
LogP2.99
Rot. Bonds3

About 1-(methoxymethyl)-5-(4-methyloxan-2-yl)-3-(trifluoromethyl)pyrazole

1-(methoxymethyl)-5-(4-methyloxan-2-yl)-3-(trifluoromethyl)pyrazole (PubChem CID 126764390) has the molecular formula C12H17F3N2O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 1-(methoxymethyl)-5-(4-methyloxan-2-yl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(methoxymethyl)-5-(4-methyloxan-2-yl)-3-(trifluoromethyl)pyrazole
PubChem CID126764390
Molecular FormulaC12H17F3N2O2
Molecular Weight278.27 g/mol
Exact Mass278.12
IUPAC Name1-(methoxymethyl)-5-(4-methyloxan-2-yl)-3-(trifluoromethyl)pyrazole
SMILESCOCn1nc(C(F)(F)F)cc1C1CC(C)CCO1
InChIInChI=1S/C12H17F3N2O2/c1-8-3-4-19-10(5-8)9-6-11(12(13,14)15)16-17(9)7-18-2/h6,8,10H,3-5,7H2,1-2H3
InChIKeyOJESTOLOZIVRMS-UHFFFAOYSA-N
XLogP2.99
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(methoxymethyl)-5-(4-methyloxan-2-yl)-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

rac-[(2R,3S)-2-(1-ethyl-1H-pyrazol-5-yl)oxan-3-yl]methanamine
CID 122164258
rac-[(2R,3S)-2-(1-methyl-1H-pyrazol-5-yl)oxan-3-yl]methanamine
CID 122164438
3-Cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole
CID 155512954
3-Cyclopentyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole
CID 155519188
5-(1,4-Dioxaspiro[4.5]decan-3-yl)-1-methyl-3-propan-2-ylpyrazole
CID 155538187
3-Cyclohexyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole
CID 155541838
[(2R,3S)-2-(1-ethyl-1H-pyrazol-5-yl)oxan-3-yl]methanol
CID 122155892
3-Cyclopropyl-5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole
CID 58044357
1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methoxy]-1,1-difluoro-N-methylmethanamine
CID 68641258
3-Cyclopropyl-5-(1,1-difluoropropoxymethyl)-1-methylpyrazole
CID 90124946
3-(1,1-Difluoroethyl)-5-(methoxymethyl)-1-propan-2-ylpyrazole
CID 90162097
1,7-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole
CID 90168163

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-5-(4-methyloxan-2-yl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(methoxymethyl)-5-(4-methyloxan-2-yl)-3-(trifluoromethyl)pyrazole (CID 126764390) is 1-(methoxymethyl)-5-(4-methyloxan-2-yl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(methoxymethyl)-5-(4-methyloxan-2-yl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(methoxymethyl)-5-(4-methyloxan-2-yl)-3-(trifluoromethyl)pyrazole is COCn1nc(C(F)(F)F)cc1C1CC(C)CCO1.
What is the InChIKey of 1-(methoxymethyl)-5-(4-methyloxan-2-yl)-3-(trifluoromethyl)pyrazole?
The InChIKey is OJESTOLOZIVRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2/c1-8-3-4-19-10(5-8)9-6-11(12(13,14)15)16-17(9)7-18-2/h6,8,10H,3-5,7H2,1-2H3.
What are the key properties of 1-(methoxymethyl)-5-(4-methyloxan-2-yl)-3-(trifluoromethyl)pyrazole?
1-(methoxymethyl)-5-(4-methyloxan-2-yl)-3-(trifluoromethyl)pyrazole has a molecular weight of 278.27 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-5-(4-methyloxan-2-yl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 126764390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).