2-[5-amino-3-(2-fluoro-1-methylcyclopropyl)pyrazol-1-yl]ethanol

C9H14FN3O — CID 130857536

IUPAC2-[5-amino-3-(2-fluoro-1-methylcyclopropyl)pyrazol-1-yl]ethanol
SMILESCC1(c2cc(N)n(CCO)n2)CC1F
InChIInChI=1S/C9H14FN3O/c1-9(5-6(9)10)7-4-8(11)13(12-7)2-3-14/h4,6,14H,2-3,5,11H2,1H3
InChIKeyRSIMBNSYELPIIJ-UHFFFAOYSA-N
MW199.23 g/mol
LogP0.46
Rot. Bonds3

About 2-[5-amino-3-(2-fluoro-1-methylcyclopropyl)pyrazol-1-yl]ethanol

2-[5-amino-3-(2-fluoro-1-methylcyclopropyl)pyrazol-1-yl]ethanol (PubChem CID 130857536) has the molecular formula C9H14FN3O and a molecular weight of 199.23 g/mol. Its IUPAC name is 2-[5-amino-3-(2-fluoro-1-methylcyclopropyl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-amino-3-(2-fluoro-1-methylcyclopropyl)pyrazol-1-yl]ethanol
PubChem CID130857536
Molecular FormulaC9H14FN3O
Molecular Weight199.23 g/mol
Exact Mass199.11
IUPAC Name2-[5-amino-3-(2-fluoro-1-methylcyclopropyl)pyrazol-1-yl]ethanol
SMILESCC1(c2cc(N)n(CCO)n2)CC1F
InChIInChI=1S/C9H14FN3O/c1-9(5-6(9)10)7-4-8(11)13(12-7)2-3-14/h4,6,14H,2-3,5,11H2,1H3
InChIKeyRSIMBNSYELPIIJ-UHFFFAOYSA-N
XLogP0.46
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(2-fluoro-1-methylcyclopropyl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-amino-3-(2-fluoro-1-methylcyclopropyl)pyrazol-1-yl]ethanol (CID 130857536) is 2-[5-amino-3-(2-fluoro-1-methylcyclopropyl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-amino-3-(2-fluoro-1-methylcyclopropyl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-amino-3-(2-fluoro-1-methylcyclopropyl)pyrazol-1-yl]ethanol is CC1(c2cc(N)n(CCO)n2)CC1F.
What is the InChIKey of 2-[5-amino-3-(2-fluoro-1-methylcyclopropyl)pyrazol-1-yl]ethanol?
The InChIKey is RSIMBNSYELPIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O/c1-9(5-6(9)10)7-4-8(11)13(12-7)2-3-14/h4,6,14H,2-3,5,11H2,1H3.
What are the key properties of 2-[5-amino-3-(2-fluoro-1-methylcyclopropyl)pyrazol-1-yl]ethanol?
2-[5-amino-3-(2-fluoro-1-methylcyclopropyl)pyrazol-1-yl]ethanol has a molecular weight of 199.23 g/mol, XLogP of 0.46, 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-(2-fluoro-1-methylcyclopropyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 130857536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).