[1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]methanol

C11H12FN3O — CID 121213336

IUPAC[1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]methanol
SMILESOCc1cn(CCF)nc1-c1cccnc1
InChIInChI=1S/C11H12FN3O/c12-3-5-15-7-10(8-16)11(14-15)9-2-1-4-13-6-9/h1-2,4,6-7,16H,3,5,8H2
InChIKeyFEGPWULCGPNUPD-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.41
Rot. Bonds4

About [1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]methanol

[1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]methanol (PubChem CID 121213336) has the molecular formula C11H12FN3O and a molecular weight of 221.23 g/mol. Its IUPAC name is [1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]methanol
PubChem CID121213336
Molecular FormulaC11H12FN3O
Molecular Weight221.23 g/mol
Exact Mass221.10
IUPAC Name[1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]methanol
SMILESOCc1cn(CCF)nc1-c1cccnc1
InChIInChI=1S/C11H12FN3O/c12-3-5-15-7-10(8-16)11(14-15)9-2-1-4-13-6-9/h1-2,4,6-7,16H,3,5,8H2
InChIKeyFEGPWULCGPNUPD-UHFFFAOYSA-N
XLogP1.41
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]methanol?
The IUPAC name of [1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]methanol (CID 121213336) is [1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]methanol?
The canonical SMILES for [1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]methanol is OCc1cn(CCF)nc1-c1cccnc1.
What is the InChIKey of [1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]methanol?
The InChIKey is FEGPWULCGPNUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c12-3-5-15-7-10(8-16)11(14-15)9-2-1-4-13-6-9/h1-2,4,6-7,16H,3,5,8H2.
What are the key properties of [1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]methanol?
[1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]methanol has a molecular weight of 221.23 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]methanol is sourced from PubChem (CID 121213336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).