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

C12H14FN3O — CID 121213868

IUPAC2-[1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]ethanol
SMILESOCCc1cn(CCF)nc1-c1cccnc1
InChIInChI=1S/C12H14FN3O/c13-4-6-16-9-11(3-7-17)12(15-16)10-2-1-5-14-8-10/h1-2,5,8-9,17H,3-4,6-7H2
InChIKeyURVOTFTXPWELSI-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.45
Rot. Bonds5

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

2-[1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]ethanol (PubChem CID 121213868) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 2-[1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]ethanol
PubChem CID121213868
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name2-[1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]ethanol
SMILESOCCc1cn(CCF)nc1-c1cccnc1
InChIInChI=1S/C12H14FN3O/c13-4-6-16-9-11(3-7-17)12(15-16)10-2-1-5-14-8-10/h1-2,5,8-9,17H,3-4,6-7H2
InChIKeyURVOTFTXPWELSI-UHFFFAOYSA-N
XLogP1.45
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]methanol
CID 121213336
1-[1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]-N-methylmethanamine
CID 121213634
1-(2-fluoroethyl)-3-pyridin-3-ylpyrazole-4-carbonitrile
CID 121213440
4-(chloromethyl)-1-(2-fluoroethyl)-3-phenylpyrazole
CID 121213375
1-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-methylmethanamine
CID 121213633
2-[1-(2-fluoroethyl)-3-phenylpyrazol-4-yl]acetonitrile
CID 121213709
1-propyl-3-pyridin-3-ylpyrazole-4-carboxylic acid
CID 61266867
2-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]ethanol
CID 17445531
[1-(3-chlorophenyl)-3-pyridin-3-ylpyrazol-4-yl]methanol
CID 5146729
N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-2-amine
CID 78971710
3-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]-4-methylsulfanylbutan-1-ol
CID 111449599
2-methyl-1-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]propan-2-ol
CID 119128606

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]ethanol?
The IUPAC name of 2-[1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]ethanol (CID 121213868) is 2-[1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]ethanol?
The canonical SMILES for 2-[1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]ethanol is OCCc1cn(CCF)nc1-c1cccnc1.
What is the InChIKey of 2-[1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]ethanol?
The InChIKey is URVOTFTXPWELSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c13-4-6-16-9-11(3-7-17)12(15-16)10-2-1-5-14-8-10/h1-2,5,8-9,17H,3-4,6-7H2.
What are the key properties of 2-[1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]ethanol?
2-[1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]ethanol has a molecular weight of 235.26 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]ethanol is sourced from PubChem (CID 121213868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).