2-[5-amino-3-(1,1-difluoroethyl)-4-fluoropyrazol-1-yl]ethanol

C7H10F3N3O — CID 165499655

IUPAC2-[5-amino-3-(1,1-difluoroethyl)-4-fluoropyrazol-1-yl]ethanol
SMILESCC(F)(F)c1nn(CCO)c(N)c1F
InChIInChI=1S/C7H10F3N3O/c1-7(9,10)5-4(8)6(11)13(12-5)2-3-14/h14H,2-3,11H2,1H3
InChIKeyRRTOMMYWJNTBJN-UHFFFAOYSA-N
MW209.17 g/mol
LogP0.71
Rot. Bonds3

About 2-[5-amino-3-(1,1-difluoroethyl)-4-fluoropyrazol-1-yl]ethanol

2-[5-amino-3-(1,1-difluoroethyl)-4-fluoropyrazol-1-yl]ethanol (PubChem CID 165499655) has the molecular formula C7H10F3N3O and a molecular weight of 209.17 g/mol. Its IUPAC name is 2-[5-amino-3-(1,1-difluoroethyl)-4-fluoropyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-amino-3-(1,1-difluoroethyl)-4-fluoropyrazol-1-yl]ethanol
PubChem CID165499655
Molecular FormulaC7H10F3N3O
Molecular Weight209.17 g/mol
Exact Mass209.08
IUPAC Name2-[5-amino-3-(1,1-difluoroethyl)-4-fluoropyrazol-1-yl]ethanol
SMILESCC(F)(F)c1nn(CCO)c(N)c1F
InChIInChI=1S/C7H10F3N3O/c1-7(9,10)5-4(8)6(11)13(12-5)2-3-14/h14H,2-3,11H2,1H3
InChIKeyRRTOMMYWJNTBJN-UHFFFAOYSA-N
XLogP0.71
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-Amino-3-ethyl-1-methylpyrazol-5-yl)amino]-1,1-difluoropropan-2-ol
CID 105642378
2-[(4-Amino-3-ethyl-1-methylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478263
2-[(4-Amino-1-methyl-3-propylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478288
2-[(4-Amino-3-ethyl-1-methylpyrazol-5-yl)-(2,2-difluoroethyl)amino]ethanol
CID 113964081
2-[(4-Amino-1-methyl-3-propylpyrazol-5-yl)-(2,2-difluoroethyl)amino]ethanol
CID 113964082
3-[(4-Amino-3-ethyl-1-methylpyrazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 114092925
2-[5-Amino-3-(1,1-difluoroethyl)-1H-pyrazol-1-yl]ethan-1-ol
CID 130495240
2-[5-amino-3-(1,2-dimethylcyclopropyl)-4-fluoro-1H-pyrazol-1-yl]ethan-1-ol
CID 165492366
3-(1,1-difluoroethyl)-4-fluoro-1-methyl-1H-pyrazol-5-amine
CID 165492546
2-(5-amino-4-fluoro-3-methyl-1H-pyrazol-1-yl)ethan-1-ol
CID 165492651
2-[5-amino-4-fluoro-3-(1-methylcyclopropyl)-1H-pyrazol-1-yl]ethan-1-ol
CID 165492652
2-(5-amino-3-cyclobutyl-4-fluoro-1H-pyrazol-1-yl)ethan-1-ol
CID 165492653

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(1,1-difluoroethyl)-4-fluoropyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-amino-3-(1,1-difluoroethyl)-4-fluoropyrazol-1-yl]ethanol (CID 165499655) is 2-[5-amino-3-(1,1-difluoroethyl)-4-fluoropyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-amino-3-(1,1-difluoroethyl)-4-fluoropyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-amino-3-(1,1-difluoroethyl)-4-fluoropyrazol-1-yl]ethanol is CC(F)(F)c1nn(CCO)c(N)c1F.
What is the InChIKey of 2-[5-amino-3-(1,1-difluoroethyl)-4-fluoropyrazol-1-yl]ethanol?
The InChIKey is RRTOMMYWJNTBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O/c1-7(9,10)5-4(8)6(11)13(12-5)2-3-14/h14H,2-3,11H2,1H3.
What are the key properties of 2-[5-amino-3-(1,1-difluoroethyl)-4-fluoropyrazol-1-yl]ethanol?
2-[5-amino-3-(1,1-difluoroethyl)-4-fluoropyrazol-1-yl]ethanol has a molecular weight of 209.17 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(1,1-difluoroethyl)-4-fluoropyrazol-1-yl]ethanol is sourced from PubChem (CID 165499655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).