1-[2-(difluoromethoxy)-2-methylpropyl]pyrazole

C8H12F2N2O — CID 172621831

IUPAC1-[2-(difluoromethoxy)-2-methylpropyl]pyrazole
SMILESCC(C)(Cn1cccn1)OC(F)F
InChIInChI=1S/C8H12F2N2O/c1-8(2,13-7(9)10)6-12-5-3-4-11-12/h3-5,7H,6H2,1-2H3
InChIKeyFSZQBZWTNZVXGJ-UHFFFAOYSA-N
MW190.19 g/mol
LogP1.90
Rot. Bonds4

About 1-[2-(difluoromethoxy)-2-methylpropyl]pyrazole

1-[2-(difluoromethoxy)-2-methylpropyl]pyrazole (PubChem CID 172621831) has the molecular formula C8H12F2N2O and a molecular weight of 190.19 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)-2-methylpropyl]pyrazole.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)-2-methylpropyl]pyrazole
PubChem CID172621831
Molecular FormulaC8H12F2N2O
Molecular Weight190.19 g/mol
Exact Mass190.09
IUPAC Name1-[2-(difluoromethoxy)-2-methylpropyl]pyrazole
SMILESCC(C)(Cn1cccn1)OC(F)F
InChIInChI=1S/C8H12F2N2O/c1-8(2,13-7(9)10)6-12-5-3-4-11-12/h3-5,7H,6H2,1-2H3
InChIKeyFSZQBZWTNZVXGJ-UHFFFAOYSA-N
XLogP1.90
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-amino-3-(2-methyl-1-pyrazol-1-ylpropan-2-yl)oxypropan-2-ol
CID 70941945
2-fluoro-2-methyl-3-pyrazol-1-ylpropanoic acid
CID 84654305
1-ethylpyrazole;propane
CID 142296683
trimethyl-[1-(pyrazol-1-ylmethoxy)ethyl]silane
CID 19047528
1-[[1,3,4,5,6,7,8-heptakis(pyrazol-1-ylmethyl)biphenylen-2-yl]methyl]pyrazole
CID 139060151
1-[[2,3,4,5,6-pentakis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole
CID 15190545
1-[[4-(difluoromethoxy)phenyl]methyl]pyrazole
CID 174835296
2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-(pyrazol-1-ylmethyl)propanoic acid
CID 76518935
1-[(3S)-4-fluoro-3-methoxybutyl]pyrazole
CID 134462774
(2S)-1,1,1-trifluoro-3-pyrazol-1-ylpropan-2-ol
CID 124508863
1-[[2,4,6-triethyl-3,5-bis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole
CID 91461332
N-(2-fluoroethyl)-1-pyrazol-1-ylpropan-2-amine
CID 80601447

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)-2-methylpropyl]pyrazole?
The IUPAC name of 1-[2-(difluoromethoxy)-2-methylpropyl]pyrazole (CID 172621831) is 1-[2-(difluoromethoxy)-2-methylpropyl]pyrazole.
What is the SMILES notation for 1-[2-(difluoromethoxy)-2-methylpropyl]pyrazole?
The canonical SMILES for 1-[2-(difluoromethoxy)-2-methylpropyl]pyrazole is CC(C)(Cn1cccn1)OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)-2-methylpropyl]pyrazole?
The InChIKey is FSZQBZWTNZVXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O/c1-8(2,13-7(9)10)6-12-5-3-4-11-12/h3-5,7H,6H2,1-2H3.
What are the key properties of 1-[2-(difluoromethoxy)-2-methylpropyl]pyrazole?
1-[2-(difluoromethoxy)-2-methylpropyl]pyrazole has a molecular weight of 190.19 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)-2-methylpropyl]pyrazole is sourced from PubChem (CID 172621831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).