[4-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-1-bicyclo[2.2.2]octanyl]methanol

C15H22F2N2O — CID 154683487

IUPAC[4-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-1-bicyclo[2.2.2]octanyl]methanol
SMILESCn1nc(C(C)(F)F)cc1C12CCC(CO)(CC1)CC2
InChIInChI=1S/C15H22F2N2O/c1-13(16,17)11-9-12(19(2)18-11)15-6-3-14(10-20,4-7-15)5-8-15/h9,20H,3-8,10H2,1-2H3
InChIKeyJKSKMHYZIMBAND-UHFFFAOYSA-N
MW284.35 g/mol
LogP3.12
Rot. Bonds3

About [4-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-1-bicyclo[2.2.2]octanyl]methanol

[4-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-1-bicyclo[2.2.2]octanyl]methanol (PubChem CID 154683487) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is [4-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-1-bicyclo[2.2.2]octanyl]methanol.

Molecular Properties

Compound Name[4-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-1-bicyclo[2.2.2]octanyl]methanol
PubChem CID154683487
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC Name[4-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-1-bicyclo[2.2.2]octanyl]methanol
SMILESCn1nc(C(C)(F)F)cc1C12CCC(CO)(CC1)CC2
InChIInChI=1S/C15H22F2N2O/c1-13(16,17)11-9-12(19(2)18-11)15-6-3-14(10-20,4-7-15)5-8-15/h9,20H,3-8,10H2,1-2H3
InChIKeyJKSKMHYZIMBAND-UHFFFAOYSA-N
XLogP3.12
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-1-bicyclo[2.2.2]octanyl]methanol with MolForge

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Related Compounds

[6-(3-Ethyl-1-propan-2-ylpyrazol-5-yl)-3-fluoro-3-bicyclo[3.1.0]hexanyl]methanol
CID 123815409
2-[5-[4-[(R)-dimethylamino(hydroxy)methyl]cyclohexyl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol
CID 143533731
4-[5-(1,1-Difluoroethyl)-2-methylpyrazol-3-yl]bicyclo[2.2.2]octane-1-carbaldehyde
CID 154682930
[4-[5-(1,1-Difluoroethyl)-1-methylpyrazol-3-yl]-1-bicyclo[2.2.2]octanyl]methanol
CID 154683121
4-[5-(1,1-Difluoroethyl)-1-methylpyrazol-3-yl]bicyclo[2.2.2]octane-1-carbaldehyde
CID 154683306
Methyl 4-[5-(1,1-difluoroethyl)-2-methylpyrazol-3-yl]bicyclo[2.2.2]octane-1-carboxylate
CID 155060380
[4-[3-(1-Fluorocyclopropyl)-1-methylpyrazol-5-yl]-1-bicyclo[2.2.2]octanyl]methanol
CID 155060419
Methyl 4-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]bicyclo[2.2.2]octane-1-carboxylate
CID 155060679
4-[[3-Tert-butyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-ol
CID 157041996
5-[3-(1-Fluorocyclopropyl)-1-methylpyrazol-5-yl]pentan-1-ol
CID 166977497
(2R)-2-methyl-3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-ol
CID 168907502
2-Methyl-3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-ol
CID 168907508

Frequently Asked Questions

What is the IUPAC name of [4-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-1-bicyclo[2.2.2]octanyl]methanol?
The IUPAC name of [4-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-1-bicyclo[2.2.2]octanyl]methanol (CID 154683487) is [4-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-1-bicyclo[2.2.2]octanyl]methanol.
What is the SMILES notation for [4-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-1-bicyclo[2.2.2]octanyl]methanol?
The canonical SMILES for [4-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-1-bicyclo[2.2.2]octanyl]methanol is Cn1nc(C(C)(F)F)cc1C12CCC(CO)(CC1)CC2.
What is the InChIKey of [4-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-1-bicyclo[2.2.2]octanyl]methanol?
The InChIKey is JKSKMHYZIMBAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-13(16,17)11-9-12(19(2)18-11)15-6-3-14(10-20,4-7-15)5-8-15/h9,20H,3-8,10H2,1-2H3.
What are the key properties of [4-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-1-bicyclo[2.2.2]octanyl]methanol?
[4-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-1-bicyclo[2.2.2]octanyl]methanol has a molecular weight of 284.35 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-1-bicyclo[2.2.2]octanyl]methanol is sourced from PubChem (CID 154683487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).