3-(methoxymethyl)-5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole

C10H15F3N2O — CID 101017767

IUPAC3-(methoxymethyl)-5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCOCc1cc(C(C)C)n(CC(F)(F)F)n1
InChIInChI=1S/C10H15F3N2O/c1-7(2)9-4-8(5-16-3)14-15(9)6-10(11,12)13/h4,7H,5-6H2,1-3H3
InChIKeyHPMAFXAQHSPUOG-UHFFFAOYSA-N
MW236.24 g/mol
LogP2.72
Rot. Bonds4

About 3-(methoxymethyl)-5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole

3-(methoxymethyl)-5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole (PubChem CID 101017767) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 3-(methoxymethyl)-5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole.

Molecular Properties

Compound Name3-(methoxymethyl)-5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
PubChem CID101017767
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name3-(methoxymethyl)-5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCOCc1cc(C(C)C)n(CC(F)(F)F)n1
InChIInChI=1S/C10H15F3N2O/c1-7(2)9-4-8(5-16-3)14-15(9)6-10(11,12)13/h4,7H,5-6H2,1-3H3
InChIKeyHPMAFXAQHSPUOG-UHFFFAOYSA-N
XLogP2.72
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-((1-Ethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)methoxy)ethanamine hydrochloride
CID 25248679
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-[(3-cyclopropyl-1-methylpyrazol-5-yl)methoxy]-1,1-difluoro-N-methylmethanamine
CID 68641258
1-[2-Ethyl-5-(trifluoromethyl)pyrazol-3-yl]ethanol
CID 70851924
2-[1-Ethyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol
CID 70967738
2-(fluoromethyl)-4-methoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine
CID 89128778
3-Cyclopropyl-5-(1,1-difluoropropoxymethyl)-1-methylpyrazole
CID 90124946
3-(1,1-Difluoroethyl)-5-(methoxymethyl)-1-propan-2-ylpyrazole
CID 90162097
5-(Methoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 90162777
5-(Methoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole
CID 90167630

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole?
The IUPAC name of 3-(methoxymethyl)-5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole (CID 101017767) is 3-(methoxymethyl)-5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole.
What is the SMILES notation for 3-(methoxymethyl)-5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole?
The canonical SMILES for 3-(methoxymethyl)-5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole is COCc1cc(C(C)C)n(CC(F)(F)F)n1.
What is the InChIKey of 3-(methoxymethyl)-5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole?
The InChIKey is HPMAFXAQHSPUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-7(2)9-4-8(5-16-3)14-15(9)6-10(11,12)13/h4,7H,5-6H2,1-3H3.
What are the key properties of 3-(methoxymethyl)-5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole?
3-(methoxymethyl)-5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole has a molecular weight of 236.24 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole is sourced from PubChem (CID 101017767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).