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

C16H23FN2O — CID 155060419

IUPAC[4-[3-(1-fluorocyclopropyl)-1-methylpyrazol-5-yl]-1-bicyclo[2.2.2]octanyl]methanol
SMILESCn1nc(C2(F)CC2)cc1C12CCC(CO)(CC1)CC2
InChIInChI=1S/C16H23FN2O/c1-19-13(10-12(18-19)16(17)8-9-16)15-5-2-14(11-20,3-6-15)4-7-15/h10,20H,2-9,11H2,1H3
InChIKeyVOTYCJNGMUFXNR-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.96
Rot. Bonds3

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

[4-[3-(1-fluorocyclopropyl)-1-methylpyrazol-5-yl]-1-bicyclo[2.2.2]octanyl]methanol (PubChem CID 155060419) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is [4-[3-(1-fluorocyclopropyl)-1-methylpyrazol-5-yl]-1-bicyclo[2.2.2]octanyl]methanol.

Molecular Properties

Compound Name[4-[3-(1-fluorocyclopropyl)-1-methylpyrazol-5-yl]-1-bicyclo[2.2.2]octanyl]methanol
PubChem CID155060419
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name[4-[3-(1-fluorocyclopropyl)-1-methylpyrazol-5-yl]-1-bicyclo[2.2.2]octanyl]methanol
SMILESCn1nc(C2(F)CC2)cc1C12CCC(CO)(CC1)CC2
InChIInChI=1S/C16H23FN2O/c1-19-13(10-12(18-19)16(17)8-9-16)15-5-2-14(11-20,3-6-15)4-7-15/h10,20H,2-9,11H2,1H3
InChIKeyVOTYCJNGMUFXNR-UHFFFAOYSA-N
XLogP2.96
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(1-fluorocyclopropyl)-1-methylpyrazol-5-yl]-1-bicyclo[2.2.2]octanyl]methanol?
The IUPAC name of [4-[3-(1-fluorocyclopropyl)-1-methylpyrazol-5-yl]-1-bicyclo[2.2.2]octanyl]methanol (CID 155060419) is [4-[3-(1-fluorocyclopropyl)-1-methylpyrazol-5-yl]-1-bicyclo[2.2.2]octanyl]methanol.
What is the SMILES notation for [4-[3-(1-fluorocyclopropyl)-1-methylpyrazol-5-yl]-1-bicyclo[2.2.2]octanyl]methanol?
The canonical SMILES for [4-[3-(1-fluorocyclopropyl)-1-methylpyrazol-5-yl]-1-bicyclo[2.2.2]octanyl]methanol is Cn1nc(C2(F)CC2)cc1C12CCC(CO)(CC1)CC2.
What is the InChIKey of [4-[3-(1-fluorocyclopropyl)-1-methylpyrazol-5-yl]-1-bicyclo[2.2.2]octanyl]methanol?
The InChIKey is VOTYCJNGMUFXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-19-13(10-12(18-19)16(17)8-9-16)15-5-2-14(11-20,3-6-15)4-7-15/h10,20H,2-9,11H2,1H3.
What are the key properties of [4-[3-(1-fluorocyclopropyl)-1-methylpyrazol-5-yl]-1-bicyclo[2.2.2]octanyl]methanol?
[4-[3-(1-fluorocyclopropyl)-1-methylpyrazol-5-yl]-1-bicyclo[2.2.2]octanyl]methanol has a molecular weight of 278.37 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(1-fluorocyclopropyl)-1-methylpyrazol-5-yl]-1-bicyclo[2.2.2]octanyl]methanol is sourced from PubChem (CID 155060419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).