3-(difluoromethyl)-1-(oxolan-3-yl)pyrazole

C8H10F2N2O — CID 130570271

IUPAC3-(difluoromethyl)-1-(oxolan-3-yl)pyrazole
SMILESFC(F)c1ccn(C2CCOC2)n1
InChIInChI=1S/C8H10F2N2O/c9-8(10)7-1-3-12(11-7)6-2-4-13-5-6/h1,3,6,8H,2,4-5H2
InChIKeyVCUYKKVGTNIWOH-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.78
Rot. Bonds2

About 3-(difluoromethyl)-1-(oxolan-3-yl)pyrazole

3-(difluoromethyl)-1-(oxolan-3-yl)pyrazole (PubChem CID 130570271) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-(oxolan-3-yl)pyrazole.

Molecular Properties

Compound Name3-(difluoromethyl)-1-(oxolan-3-yl)pyrazole
PubChem CID130570271
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name3-(difluoromethyl)-1-(oxolan-3-yl)pyrazole
SMILESFC(F)c1ccn(C2CCOC2)n1
InChIInChI=1S/C8H10F2N2O/c9-8(10)7-1-3-12(11-7)6-2-4-13-5-6/h1,3,6,8H,2,4-5H2
InChIKeyVCUYKKVGTNIWOH-UHFFFAOYSA-N
XLogP1.78
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(difluoromethyl)-1-(oxetan-3-yl)pyrazole
CID 156818624
[1-(oxolan-3-yl)pyrazol-3-yl]methanol
CID 168728333
3-tert-butyl-1-(oxolan-3-yl)pyrazole
CID 130570273
3-(2,5-dimethylpyrrol-1-yl)-1-[(3S)-oxolan-3-yl]pyrazole
CID 157041913
1-(oxan-3-yl)-3-(trifluoromethyl)pyrazole
CID 107137610
ethyl 3-[3-(difluoromethyl)pyrazol-1-yl]cyclobutane-1-carboxylate
CID 156823396
1-cyclopentyl-3-propan-2-ylpyrazole
CID 66014136
3-(4-cyclopropylphenyl)-1-(oxan-4-yl)pyrazole
CID 166304772
N-[[1-(oxan-3-yl)pyrazol-3-yl]methyl]cyclopropanamine
CID 107137702
3-iodo-1-(oxetan-3-yl)pyrazole
CID 67342544
2-[4-bromo-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-5-fluoropyridine
CID 175920701
1-(oxolan-3-yl)imidazole
CID 63810500

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-(oxolan-3-yl)pyrazole?
The IUPAC name of 3-(difluoromethyl)-1-(oxolan-3-yl)pyrazole (CID 130570271) is 3-(difluoromethyl)-1-(oxolan-3-yl)pyrazole.
What is the SMILES notation for 3-(difluoromethyl)-1-(oxolan-3-yl)pyrazole?
The canonical SMILES for 3-(difluoromethyl)-1-(oxolan-3-yl)pyrazole is FC(F)c1ccn(C2CCOC2)n1.
What is the InChIKey of 3-(difluoromethyl)-1-(oxolan-3-yl)pyrazole?
The InChIKey is VCUYKKVGTNIWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c9-8(10)7-1-3-12(11-7)6-2-4-13-5-6/h1,3,6,8H,2,4-5H2.
What are the key properties of 3-(difluoromethyl)-1-(oxolan-3-yl)pyrazole?
3-(difluoromethyl)-1-(oxolan-3-yl)pyrazole has a molecular weight of 188.18 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-(oxolan-3-yl)pyrazole is sourced from PubChem (CID 130570271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).