2-[4-amino-5-(3,3-difluoropiperidin-1-yl)pyrazol-1-yl]ethanol

C10H16F2N4O — CID 70802058

IUPAC2-[4-amino-5-(3,3-difluoropiperidin-1-yl)pyrazol-1-yl]ethanol
SMILESNc1cnn(CCO)c1N1CCCC(F)(F)C1
InChIInChI=1S/C10H16F2N4O/c11-10(12)2-1-3-15(7-10)9-8(13)6-14-16(9)4-5-17/h6,17H,1-5,7,13H2
InChIKeyCYIRLSLYUSDXAQ-UHFFFAOYSA-N
MW246.26 g/mol
LogP0.69
Rot. Bonds3

About 2-[4-amino-5-(3,3-difluoropiperidin-1-yl)pyrazol-1-yl]ethanol

2-[4-amino-5-(3,3-difluoropiperidin-1-yl)pyrazol-1-yl]ethanol (PubChem CID 70802058) has the molecular formula C10H16F2N4O and a molecular weight of 246.26 g/mol. Its IUPAC name is 2-[4-amino-5-(3,3-difluoropiperidin-1-yl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-amino-5-(3,3-difluoropiperidin-1-yl)pyrazol-1-yl]ethanol
PubChem CID70802058
Molecular FormulaC10H16F2N4O
Molecular Weight246.26 g/mol
Exact Mass246.13
IUPAC Name2-[4-amino-5-(3,3-difluoropiperidin-1-yl)pyrazol-1-yl]ethanol
SMILESNc1cnn(CCO)c1N1CCCC(F)(F)C1
InChIInChI=1S/C10H16F2N4O/c11-10(12)2-1-3-15(7-10)9-8(13)6-14-16(9)4-5-17/h6,17H,1-5,7,13H2
InChIKeyCYIRLSLYUSDXAQ-UHFFFAOYSA-N
XLogP0.69
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-5-(3,3-difluoropiperidin-1-yl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-amino-5-(3,3-difluoropiperidin-1-yl)pyrazol-1-yl]ethanol (CID 70802058) is 2-[4-amino-5-(3,3-difluoropiperidin-1-yl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-amino-5-(3,3-difluoropiperidin-1-yl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-amino-5-(3,3-difluoropiperidin-1-yl)pyrazol-1-yl]ethanol is Nc1cnn(CCO)c1N1CCCC(F)(F)C1.
What is the InChIKey of 2-[4-amino-5-(3,3-difluoropiperidin-1-yl)pyrazol-1-yl]ethanol?
The InChIKey is CYIRLSLYUSDXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4O/c11-10(12)2-1-3-15(7-10)9-8(13)6-14-16(9)4-5-17/h6,17H,1-5,7,13H2.
What are the key properties of 2-[4-amino-5-(3,3-difluoropiperidin-1-yl)pyrazol-1-yl]ethanol?
2-[4-amino-5-(3,3-difluoropiperidin-1-yl)pyrazol-1-yl]ethanol has a molecular weight of 246.26 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-5-(3,3-difluoropiperidin-1-yl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 70802058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).