2-[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]ethanol

C11H12FN3O — CID 115069471

IUPAC2-[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]ethanol
SMILESNc1c(CCO)cnn1-c1ccc(F)cc1
InChIInChI=1S/C11H12FN3O/c12-9-1-3-10(4-2-9)15-11(13)8(5-6-16)7-14-15/h1-4,7,16H,5-6,13H2
InChIKeyQBXASZPFMNUNMD-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.13
Rot. Bonds3

About 2-[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]ethanol

2-[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]ethanol (PubChem CID 115069471) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 2-[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]ethanol
PubChem CID115069471
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name2-[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]ethanol
SMILESNc1c(CCO)cnn1-c1ccc(F)cc1
InChIInChI=1S/C11H12FN3O/c12-9-1-3-10(4-2-9)15-11(13)8(5-6-16)7-14-15/h1-4,7,16H,5-6,13H2
InChIKeyQBXASZPFMNUNMD-UHFFFAOYSA-N
XLogP1.13
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-amino-1-pyridin-4-ylpyrazol-4-yl)propan-1-ol
CID 63376804
[5-amino-1-(4-methylphenyl)pyrazol-4-yl]methanol
CID 115069463
[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]methanol
CID 115068469
3-[5-amino-1-(2-fluorophenyl)pyrazol-4-yl]propan-1-ol
CID 63376503
3-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]propan-1-amine
CID 115068487
2-amino-3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]propan-1-ol;hydrochloride
CID 170892804
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(4-methylphenyl)methanone
CID 73012259
2-[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]ethanol
CID 105498410
2-[5-amino-1-(4-bromophenyl)pyrazol-4-yl]acetic acid
CID 115069491
2-[5-amino-1-(4-chlorophenyl)pyrazol-4-yl]acetic acid
CID 115069490
2-[5-amino-1-(4-hydroxyphenyl)pyrazol-4-yl]acetonitrile
CID 131484759
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(3-aminophenyl)methanone
CID 22262810

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]ethanol?
The IUPAC name of 2-[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]ethanol (CID 115069471) is 2-[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]ethanol?
The canonical SMILES for 2-[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]ethanol is Nc1c(CCO)cnn1-c1ccc(F)cc1.
What is the InChIKey of 2-[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]ethanol?
The InChIKey is QBXASZPFMNUNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c12-9-1-3-10(4-2-9)15-11(13)8(5-6-16)7-14-15/h1-4,7,16H,5-6,13H2.
What are the key properties of 2-[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]ethanol?
2-[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]ethanol has a molecular weight of 221.24 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]ethanol is sourced from PubChem (CID 115069471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).