3-(1,1-difluoroethyl)-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole

C10H16F2N2O — CID 118517382

IUPAC3-(1,1-difluoroethyl)-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole
SMILESCC(C)(C)OCn1ccc(C(C)(F)F)n1
InChIInChI=1S/C10H16F2N2O/c1-9(2,3)15-7-14-6-5-8(13-14)10(4,11)12/h5-6H,7H2,1-4H3
InChIKeyDXOZIRQUCNVYGR-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.77
Rot. Bonds3

About 3-(1,1-difluoroethyl)-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole

3-(1,1-difluoroethyl)-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole (PubChem CID 118517382) has the molecular formula C10H16F2N2O and a molecular weight of 218.25 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole
PubChem CID118517382
Molecular FormulaC10H16F2N2O
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name3-(1,1-difluoroethyl)-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole
SMILESCC(C)(C)OCn1ccc(C(C)(F)F)n1
InChIInChI=1S/C10H16F2N2O/c1-9(2,3)15-7-14-6-5-8(13-14)10(4,11)12/h5-6H,7H2,1-4H3
InChIKeyDXOZIRQUCNVYGR-UHFFFAOYSA-N
XLogP2.77
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Ethyl-1-methyl-1H-pyrazole
CID 12581083
5-(1,1-difluoroethyl)-1-methyl-1H-pyrazole
CID 89891309
3-Ethyl-1-propyl-1H-pyrazole
CID 23006154
1-Butyl-3-ethylpyrazole
CID 23006158
1-Butyl-5-ethylpyrazole
CID 23006159
1-Butyl-3-propylpyrazole
CID 66015135
1-methyl-3-pentafluoroethyl-1H-pyrazole
CID 22972273
3-(pentafluoroethyl)-1H-pyrazole-1-ylmethanol
CID 23149136
3-Tert-butyl-1-(2-fluoroethyl)pyrazole
CID 57813846
5-Tert-butyl-1-(2-fluoroethyl)pyrazole
CID 57813876
1-(2,2-Difluoropropyl)-5-propan-2-ylpyrazole
CID 58029682
1-(2,2-Difluoroethyl)-3-propan-2-ylpyrazole
CID 58029751

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole?
The IUPAC name of 3-(1,1-difluoroethyl)-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole (CID 118517382) is 3-(1,1-difluoroethyl)-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole.
What is the SMILES notation for 3-(1,1-difluoroethyl)-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole?
The canonical SMILES for 3-(1,1-difluoroethyl)-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole is CC(C)(C)OCn1ccc(C(C)(F)F)n1.
What is the InChIKey of 3-(1,1-difluoroethyl)-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole?
The InChIKey is DXOZIRQUCNVYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O/c1-9(2,3)15-7-14-6-5-8(13-14)10(4,11)12/h5-6H,7H2,1-4H3.
What are the key properties of 3-(1,1-difluoroethyl)-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole?
3-(1,1-difluoroethyl)-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole has a molecular weight of 218.25 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-1-[(2-methylpropan-2-yl)oxymethyl]pyrazole is sourced from PubChem (CID 118517382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).