3-(1,1-difluoroethyl)-5-(methoxymethyl)-1-propan-2-ylpyrazole

C10H16F2N2O — CID 90162097

IUPAC3-(1,1-difluoroethyl)-5-(methoxymethyl)-1-propan-2-ylpyrazole
SMILESCOCc1cc(C(C)(F)F)nn1C(C)C
InChIInChI=1S/C10H16F2N2O/c1-7(2)14-8(6-15-4)5-9(13-14)10(3,11)12/h5,7H,6H2,1-4H3
InChIKeyDGVGTVMLHRTYFB-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.72
Rot. Bonds4

About 3-(1,1-difluoroethyl)-5-(methoxymethyl)-1-propan-2-ylpyrazole

3-(1,1-difluoroethyl)-5-(methoxymethyl)-1-propan-2-ylpyrazole (PubChem CID 90162097) has the molecular formula C10H16F2N2O and a molecular weight of 218.25 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-5-(methoxymethyl)-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-5-(methoxymethyl)-1-propan-2-ylpyrazole
PubChem CID90162097
Molecular FormulaC10H16F2N2O
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name3-(1,1-difluoroethyl)-5-(methoxymethyl)-1-propan-2-ylpyrazole
SMILESCOCc1cc(C(C)(F)F)nn1C(C)C
InChIInChI=1S/C10H16F2N2O/c1-7(2)14-8(6-15-4)5-9(13-14)10(3,11)12/h5,7H,6H2,1-4H3
InChIKeyDGVGTVMLHRTYFB-UHFFFAOYSA-N
XLogP2.72
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(1-Cyclopentyl-5-methylpyrazol-3-yl)methoxy]ethyl]morpholine
CID 54673625
1-(1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)ethanol
CID 75175983
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
(4S,5S)-3-tert-butyl-4-methyl-5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-oxazolidin-2-one
CID 59135085
(4R,5R)-3-tert-butyl-4-methyl-5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-oxazolidin-2-one
CID 59135129
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
(4S,5S)-3-ethyl-4-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-oxazolidin-2-one
CID 70899564
(4R,5R)-3-ethyl-4-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-oxazolidin-2-one
CID 70899565

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-5-(methoxymethyl)-1-propan-2-ylpyrazole?
The IUPAC name of 3-(1,1-difluoroethyl)-5-(methoxymethyl)-1-propan-2-ylpyrazole (CID 90162097) is 3-(1,1-difluoroethyl)-5-(methoxymethyl)-1-propan-2-ylpyrazole.
What is the SMILES notation for 3-(1,1-difluoroethyl)-5-(methoxymethyl)-1-propan-2-ylpyrazole?
The canonical SMILES for 3-(1,1-difluoroethyl)-5-(methoxymethyl)-1-propan-2-ylpyrazole is COCc1cc(C(C)(F)F)nn1C(C)C.
What is the InChIKey of 3-(1,1-difluoroethyl)-5-(methoxymethyl)-1-propan-2-ylpyrazole?
The InChIKey is DGVGTVMLHRTYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O/c1-7(2)14-8(6-15-4)5-9(13-14)10(3,11)12/h5,7H,6H2,1-4H3.
What are the key properties of 3-(1,1-difluoroethyl)-5-(methoxymethyl)-1-propan-2-ylpyrazole?
3-(1,1-difluoroethyl)-5-(methoxymethyl)-1-propan-2-ylpyrazole has a molecular weight of 218.25 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-(1,1-difluoroethyl)-5-(methoxymethyl)-1-propan-2-ylpyrazole is sourced from PubChem (CID 90162097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).