2-[5-amino-3-(1,2-dimethylcyclopropyl)-4-fluoropyrazol-1-yl]ethanol

C10H16FN3O — CID 165492366

IUPAC2-[5-amino-3-(1,2-dimethylcyclopropyl)-4-fluoropyrazol-1-yl]ethanol
SMILESCC1CC1(C)c1nn(CCO)c(N)c1F
InChIInChI=1S/C10H16FN3O/c1-6-5-10(6,2)8-7(11)9(12)14(13-8)3-4-15/h6,15H,3-5,12H2,1-2H3
InChIKeyQGAUMTJSGWLQNR-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.89
Rot. Bonds3

About 2-[5-amino-3-(1,2-dimethylcyclopropyl)-4-fluoropyrazol-1-yl]ethanol

2-[5-amino-3-(1,2-dimethylcyclopropyl)-4-fluoropyrazol-1-yl]ethanol (PubChem CID 165492366) has the molecular formula C10H16FN3O and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-[5-amino-3-(1,2-dimethylcyclopropyl)-4-fluoropyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-amino-3-(1,2-dimethylcyclopropyl)-4-fluoropyrazol-1-yl]ethanol
PubChem CID165492366
Molecular FormulaC10H16FN3O
Molecular Weight213.26 g/mol
Exact Mass213.13
IUPAC Name2-[5-amino-3-(1,2-dimethylcyclopropyl)-4-fluoropyrazol-1-yl]ethanol
SMILESCC1CC1(C)c1nn(CCO)c(N)c1F
InChIInChI=1S/C10H16FN3O/c1-6-5-10(6,2)8-7(11)9(12)14(13-8)3-4-15/h6,15H,3-5,12H2,1-2H3
InChIKeyQGAUMTJSGWLQNR-UHFFFAOYSA-N
XLogP0.89
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.89
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-(1,2-dimethylcyclopropyl)-4-fluoropyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-amino-3-(1,2-dimethylcyclopropyl)-4-fluoropyrazol-1-yl]ethanol (CID 165492366) is 2-[5-amino-3-(1,2-dimethylcyclopropyl)-4-fluoropyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-amino-3-(1,2-dimethylcyclopropyl)-4-fluoropyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-amino-3-(1,2-dimethylcyclopropyl)-4-fluoropyrazol-1-yl]ethanol is CC1CC1(C)c1nn(CCO)c(N)c1F.
What is the InChIKey of 2-[5-amino-3-(1,2-dimethylcyclopropyl)-4-fluoropyrazol-1-yl]ethanol?
The InChIKey is QGAUMTJSGWLQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O/c1-6-5-10(6,2)8-7(11)9(12)14(13-8)3-4-15/h6,15H,3-5,12H2,1-2H3.
What are the key properties of 2-[5-amino-3-(1,2-dimethylcyclopropyl)-4-fluoropyrazol-1-yl]ethanol?
2-[5-amino-3-(1,2-dimethylcyclopropyl)-4-fluoropyrazol-1-yl]ethanol has a molecular weight of 213.26 g/mol, XLogP of 0.89, 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-(1,2-dimethylcyclopropyl)-4-fluoropyrazol-1-yl]ethanol is sourced from PubChem (CID 165492366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).