2-[5-amino-4-fluoro-3-(1-methylcyclopropyl)pyrazol-1-yl]ethanol

C9H14FN3O — CID 165492652

IUPAC2-[5-amino-4-fluoro-3-(1-methylcyclopropyl)pyrazol-1-yl]ethanol
SMILESCC1(c2nn(CCO)c(N)c2F)CC1
InChIInChI=1S/C9H14FN3O/c1-9(2-3-9)7-6(10)8(11)13(12-7)4-5-14/h14H,2-5,11H2,1H3
InChIKeyBITJYWQZLZOHDZ-UHFFFAOYSA-N
MW199.23 g/mol
LogP0.65
Rot. Bonds3

About 2-[5-amino-4-fluoro-3-(1-methylcyclopropyl)pyrazol-1-yl]ethanol

2-[5-amino-4-fluoro-3-(1-methylcyclopropyl)pyrazol-1-yl]ethanol (PubChem CID 165492652) has the molecular formula C9H14FN3O and a molecular weight of 199.23 g/mol. Its IUPAC name is 2-[5-amino-4-fluoro-3-(1-methylcyclopropyl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-amino-4-fluoro-3-(1-methylcyclopropyl)pyrazol-1-yl]ethanol
PubChem CID165492652
Molecular FormulaC9H14FN3O
Molecular Weight199.23 g/mol
Exact Mass199.11
IUPAC Name2-[5-amino-4-fluoro-3-(1-methylcyclopropyl)pyrazol-1-yl]ethanol
SMILESCC1(c2nn(CCO)c(N)c2F)CC1
InChIInChI=1S/C9H14FN3O/c1-9(2-3-9)7-6(10)8(11)13(12-7)4-5-14/h14H,2-5,11H2,1H3
InChIKeyBITJYWQZLZOHDZ-UHFFFAOYSA-N
XLogP0.65
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 ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-4-fluoro-3-(1-methylcyclopropyl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-amino-4-fluoro-3-(1-methylcyclopropyl)pyrazol-1-yl]ethanol (CID 165492652) is 2-[5-amino-4-fluoro-3-(1-methylcyclopropyl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-amino-4-fluoro-3-(1-methylcyclopropyl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-amino-4-fluoro-3-(1-methylcyclopropyl)pyrazol-1-yl]ethanol is CC1(c2nn(CCO)c(N)c2F)CC1.
What is the InChIKey of 2-[5-amino-4-fluoro-3-(1-methylcyclopropyl)pyrazol-1-yl]ethanol?
The InChIKey is BITJYWQZLZOHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O/c1-9(2-3-9)7-6(10)8(11)13(12-7)4-5-14/h14H,2-5,11H2,1H3.
What are the key properties of 2-[5-amino-4-fluoro-3-(1-methylcyclopropyl)pyrazol-1-yl]ethanol?
2-[5-amino-4-fluoro-3-(1-methylcyclopropyl)pyrazol-1-yl]ethanol has a molecular weight of 199.23 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-4-fluoro-3-(1-methylcyclopropyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 165492652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).