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

C10H11FN2OS — CID 121213356

IUPAC[1-(2-fluoroethyl)-3-thiophen-2-ylpyrazol-4-yl]methanol
SMILESOCc1cn(CCF)nc1-c1cccs1
InChIInChI=1S/C10H11FN2OS/c11-3-4-13-6-8(7-14)10(12-13)9-2-1-5-15-9/h1-2,5-6,14H,3-4,7H2
InChIKeyBSIKSACIADGRLB-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.07
Rot. Bonds4

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

[1-(2-fluoroethyl)-3-thiophen-2-ylpyrazol-4-yl]methanol (PubChem CID 121213356) has the molecular formula C10H11FN2OS and a molecular weight of 226.28 g/mol. Its IUPAC name is [1-(2-fluoroethyl)-3-thiophen-2-ylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(2-fluoroethyl)-3-thiophen-2-ylpyrazol-4-yl]methanol
PubChem CID121213356
Molecular FormulaC10H11FN2OS
Molecular Weight226.28 g/mol
Exact Mass226.06
IUPAC Name[1-(2-fluoroethyl)-3-thiophen-2-ylpyrazol-4-yl]methanol
SMILESOCc1cn(CCF)nc1-c1cccs1
InChIInChI=1S/C10H11FN2OS/c11-3-4-13-6-8(7-14)10(12-13)9-2-1-5-15-9/h1-2,5-6,14H,3-4,7H2
InChIKeyBSIKSACIADGRLB-UHFFFAOYSA-N
XLogP2.07
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methanol
CID 740214
(1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}piperidin-4-yl)(2-thienyl)methanol
CID 16190164
2-[{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}(2-thienylmethyl)amino]ethanol
CID 16190655
1-methyl-3-(thiophen-2-yl)-1H-pyrazole-4-carboxylic acid
CID 42281966
3-[(1-Methyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-3-azaspiro[5.5]undecan-9-ol
CID 137991504
Cyclohexyl-[5-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol
CID 58955830
[[2-(4-Methylpentan-2-yl)thiophen-3-yl]amino]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol
CID 124010713
3-(3-Fluorothiophen-2-yl)-4-methyl-1-propan-2-ylpyrazole
CID 142566037
4-[5-[[3-(Trifluoromethyl)pyrazol-1-yl]methyl]thiophen-3-yl]but-3-yn-1-ol
CID 61741726
3-[5-[[3-(Trifluoromethyl)pyrazol-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 61744736
1-(4-Fluorophenyl)-2-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]ethanol
CID 109937083
1-(2,6-Difluorophenyl)-2-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]ethanol
CID 109937148

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoroethyl)-3-thiophen-2-ylpyrazol-4-yl]methanol?
The IUPAC name of [1-(2-fluoroethyl)-3-thiophen-2-ylpyrazol-4-yl]methanol (CID 121213356) is [1-(2-fluoroethyl)-3-thiophen-2-ylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-(2-fluoroethyl)-3-thiophen-2-ylpyrazol-4-yl]methanol?
The canonical SMILES for [1-(2-fluoroethyl)-3-thiophen-2-ylpyrazol-4-yl]methanol is OCc1cn(CCF)nc1-c1cccs1.
What is the InChIKey of [1-(2-fluoroethyl)-3-thiophen-2-ylpyrazol-4-yl]methanol?
The InChIKey is BSIKSACIADGRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2OS/c11-3-4-13-6-8(7-14)10(12-13)9-2-1-5-15-9/h1-2,5-6,14H,3-4,7H2.
What are the key properties of [1-(2-fluoroethyl)-3-thiophen-2-ylpyrazol-4-yl]methanol?
[1-(2-fluoroethyl)-3-thiophen-2-ylpyrazol-4-yl]methanol has a molecular weight of 226.28 g/mol, XLogP of 2.07, 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-thiophen-2-ylpyrazol-4-yl]methanol is sourced from PubChem (CID 121213356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).