2-[4-[(2-fluoroanilino)methyl]pyrazol-1-yl]ethanol

C12H14FN3O — CID 64829351

IUPAC2-[4-[(2-fluoroanilino)methyl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(CNc2ccccc2F)cn1
InChIInChI=1S/C12H14FN3O/c13-11-3-1-2-4-12(11)14-7-10-8-15-16(9-10)5-6-17/h1-4,8-9,14,17H,5-7H2
InChIKeyWGBSOOOBGYWCST-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.63
Rot. Bonds5

About 2-[4-[(2-fluoroanilino)methyl]pyrazol-1-yl]ethanol

2-[4-[(2-fluoroanilino)methyl]pyrazol-1-yl]ethanol (PubChem CID 64829351) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 2-[4-[(2-fluoroanilino)methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2-fluoroanilino)methyl]pyrazol-1-yl]ethanol
PubChem CID64829351
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name2-[4-[(2-fluoroanilino)methyl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(CNc2ccccc2F)cn1
InChIInChI=1S/C12H14FN3O/c13-11-3-1-2-4-12(11)14-7-10-8-15-16(9-10)5-6-17/h1-4,8-9,14,17H,5-7H2
InChIKeyWGBSOOOBGYWCST-UHFFFAOYSA-N
XLogP1.63
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[2-(difluoromethoxy)anilino]methyl]pyrazol-1-yl]ethanol
CID 64831321
2-[4-[[2-(2-fluorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 64831314
2-[4-[(4-fluoroanilino)methyl]pyrazol-1-yl]ethanol
CID 64828766
4-fluoro-3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]benzoic acid
CID 64829970
2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-N-methylbenzenesulfonamide
CID 64830564
2-[4-[(2-thiophen-2-ylanilino)methyl]pyrazol-1-yl]ethanol
CID 64828814
2-[4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]pyrazol-1-yl]ethanol
CID 64828561
2-[4-[(4-chloro-2-methylanilino)methyl]pyrazol-1-yl]ethanol
CID 64830927
2-[4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]pyrazol-1-yl]ethanol
CID 64831402
2-[4-[(2,4-dimethylanilino)methyl]pyrazol-1-yl]ethanol
CID 64829341
2-fluoro-6-[(1-propylpyrazol-4-yl)methylamino]benzonitrile
CID 103571361
2-[4-[(2-phenylethylamino)methyl]pyrazol-1-yl]ethanol
CID 64830530

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-fluoroanilino)methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(2-fluoroanilino)methyl]pyrazol-1-yl]ethanol (CID 64829351) is 2-[4-[(2-fluoroanilino)methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(2-fluoroanilino)methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(2-fluoroanilino)methyl]pyrazol-1-yl]ethanol is OCCn1cc(CNc2ccccc2F)cn1.
What is the InChIKey of 2-[4-[(2-fluoroanilino)methyl]pyrazol-1-yl]ethanol?
The InChIKey is WGBSOOOBGYWCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c13-11-3-1-2-4-12(11)14-7-10-8-15-16(9-10)5-6-17/h1-4,8-9,14,17H,5-7H2.
What are the key properties of 2-[4-[(2-fluoroanilino)methyl]pyrazol-1-yl]ethanol?
2-[4-[(2-fluoroanilino)methyl]pyrazol-1-yl]ethanol has a molecular weight of 235.26 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-fluoroanilino)methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 64829351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).