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

C9H16F2N4O — CID 107478089

IUPAC2-[(4-amino-1,3-dimethylpyrazol-5-yl)-(2,2-difluoroethyl)amino]ethanol
SMILESCc1nn(C)c(N(CCO)CC(F)F)c1N
InChIInChI=1S/C9H16F2N4O/c1-6-8(12)9(14(2)13-6)15(3-4-16)5-7(10)11/h7,16H,3-5,12H2,1-2H3
InChIKeyMDGWTSJBXXWHHZ-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.37
Rot. Bonds5

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

2-[(4-amino-1,3-dimethylpyrazol-5-yl)-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107478089) has the molecular formula C9H16F2N4O and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-[(4-amino-1,3-dimethylpyrazol-5-yl)-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-amino-1,3-dimethylpyrazol-5-yl)-(2,2-difluoroethyl)amino]ethanol
PubChem CID107478089
Molecular FormulaC9H16F2N4O
Molecular Weight234.25 g/mol
Exact Mass234.13
IUPAC Name2-[(4-amino-1,3-dimethylpyrazol-5-yl)-(2,2-difluoroethyl)amino]ethanol
SMILESCc1nn(C)c(N(CCO)CC(F)F)c1N
InChIInChI=1S/C9H16F2N4O/c1-6-8(12)9(14(2)13-6)15(3-4-16)5-7(10)11/h7,16H,3-5,12H2,1-2H3
InChIKeyMDGWTSJBXXWHHZ-UHFFFAOYSA-N
XLogP0.37
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,3-dimethylpyrazol-5-yl)-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[(4-amino-1,3-dimethylpyrazol-5-yl)-(2,2-difluoroethyl)amino]ethanol (CID 107478089) is 2-[(4-amino-1,3-dimethylpyrazol-5-yl)-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(4-amino-1,3-dimethylpyrazol-5-yl)-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(4-amino-1,3-dimethylpyrazol-5-yl)-(2,2-difluoroethyl)amino]ethanol is Cc1nn(C)c(N(CCO)CC(F)F)c1N.
What is the InChIKey of 2-[(4-amino-1,3-dimethylpyrazol-5-yl)-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is MDGWTSJBXXWHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N4O/c1-6-8(12)9(14(2)13-6)15(3-4-16)5-7(10)11/h7,16H,3-5,12H2,1-2H3.
What are the key properties of 2-[(4-amino-1,3-dimethylpyrazol-5-yl)-(2,2-difluoroethyl)amino]ethanol?
2-[(4-amino-1,3-dimethylpyrazol-5-yl)-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 234.25 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,3-dimethylpyrazol-5-yl)-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107478089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).