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

C10H18F2N4O — CID 107478100

IUPAC2-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2,2-difluoroethyl)amino]ethanol
SMILESCCn1nc(C)c(N)c1N(CCO)CC(F)F
InChIInChI=1S/C10H18F2N4O/c1-3-16-10(9(13)7(2)14-16)15(4-5-17)6-8(11)12/h8,17H,3-6,13H2,1-2H3
InChIKeyNFJSNNJGHBICME-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.86
Rot. Bonds6

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

2-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107478100) has the molecular formula C10H18F2N4O and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2,2-difluoroethyl)amino]ethanol
PubChem CID107478100
Molecular FormulaC10H18F2N4O
Molecular Weight248.28 g/mol
Exact Mass248.14
IUPAC Name2-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2,2-difluoroethyl)amino]ethanol
SMILESCCn1nc(C)c(N)c1N(CCO)CC(F)F
InChIInChI=1S/C10H18F2N4O/c1-3-16-10(9(13)7(2)14-16)15(4-5-17)6-8(11)12/h8,17H,3-6,13H2,1-2H3
InChIKeyNFJSNNJGHBICME-UHFFFAOYSA-N
XLogP0.86
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2,2-difluoroethyl)amino]ethanol (CID 107478100) is 2-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2,2-difluoroethyl)amino]ethanol is CCn1nc(C)c(N)c1N(CCO)CC(F)F.
What is the InChIKey of 2-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is NFJSNNJGHBICME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N4O/c1-3-16-10(9(13)7(2)14-16)15(4-5-17)6-8(11)12/h8,17H,3-6,13H2,1-2H3.
What are the key properties of 2-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2,2-difluoroethyl)amino]ethanol?
2-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 248.28 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107478100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).