2-(5-amino-4-fluoro-3-methylpyrazol-1-yl)ethanol

C6H10FN3O — CID 165492651

IUPAC2-(5-amino-4-fluoro-3-methylpyrazol-1-yl)ethanol
SMILESCc1nn(CCO)c(N)c1F
InChIInChI=1S/C6H10FN3O/c1-4-5(7)6(8)10(9-4)2-3-11/h11H,2-3,8H2,1H3
InChIKeyHYQFSMUVOOUTGQ-UHFFFAOYSA-N
MW159.16 g/mol
LogP-0.09
Rot. Bonds2

About 2-(5-amino-4-fluoro-3-methylpyrazol-1-yl)ethanol

2-(5-amino-4-fluoro-3-methylpyrazol-1-yl)ethanol (PubChem CID 165492651) has the molecular formula C6H10FN3O and a molecular weight of 159.16 g/mol. Its IUPAC name is 2-(5-amino-4-fluoro-3-methylpyrazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(5-amino-4-fluoro-3-methylpyrazol-1-yl)ethanol
PubChem CID165492651
Molecular FormulaC6H10FN3O
Molecular Weight159.16 g/mol
Exact Mass159.08
IUPAC Name2-(5-amino-4-fluoro-3-methylpyrazol-1-yl)ethanol
SMILESCc1nn(CCO)c(N)c1F
InChIInChI=1S/C6H10FN3O/c1-4-5(7)6(8)10(9-4)2-3-11/h11H,2-3,8H2,1H3
InChIKeyHYQFSMUVOOUTGQ-UHFFFAOYSA-N
XLogP-0.09
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.16
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-Amino-3-methyl-1H-pyrazol-1-yl)ethan-1-ol
CID 5018373
5-Amino-1-(2-hydroxyethyl)-3-methyl-1H-pyrazole-4-carbonitrile
CID 219873
2-(5-amino-4-bromo-3-methyl-1H-pyrazol-1-yl)ethan-1-ol
CID 61733536
4-Fluoro-1,3-dimethyl-1H-pyrazol-5-amine
CID 86126002
3-[5-Amino-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
CID 152009278
2-(5-amino-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethan-1-ol
CID 43348866
2-[3-Amino-5-(trifluoromethyl)pyrazol-1-yl]ethanol
CID 79872705
2-[(4-Amino-1,3-dimethylpyrazol-5-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107478089
2-[(4-Amino-1-ethyl-3-methylpyrazol-5-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107478100
2-[(4-Amino-3-methyl-1-propylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478343
2-[[4-(Aminomethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478502
5-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
CID 107480230

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4-fluoro-3-methylpyrazol-1-yl)ethanol?
The IUPAC name of 2-(5-amino-4-fluoro-3-methylpyrazol-1-yl)ethanol (CID 165492651) is 2-(5-amino-4-fluoro-3-methylpyrazol-1-yl)ethanol.
What is the SMILES notation for 2-(5-amino-4-fluoro-3-methylpyrazol-1-yl)ethanol?
The canonical SMILES for 2-(5-amino-4-fluoro-3-methylpyrazol-1-yl)ethanol is Cc1nn(CCO)c(N)c1F.
What is the InChIKey of 2-(5-amino-4-fluoro-3-methylpyrazol-1-yl)ethanol?
The InChIKey is HYQFSMUVOOUTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN3O/c1-4-5(7)6(8)10(9-4)2-3-11/h11H,2-3,8H2,1H3.
What are the key properties of 2-(5-amino-4-fluoro-3-methylpyrazol-1-yl)ethanol?
2-(5-amino-4-fluoro-3-methylpyrazol-1-yl)ethanol has a molecular weight of 159.16 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-4-fluoro-3-methylpyrazol-1-yl)ethanol is sourced from PubChem (CID 165492651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).