(1R)-1-[2-(3-aminocyclobutyl)pyrazol-3-yl]ethanol

C9H15N3O — CID 121440089

IUPAC(1R)-1-[2-(3-aminocyclobutyl)pyrazol-3-yl]ethanol
SMILESC[C@@H](O)c1ccnn1C1CC(N)C1
InChIInChI=1S/C9H15N3O/c1-6(13)9-2-3-11-12(9)8-4-7(10)5-8/h2-3,6-8,13H,4-5,10H2,1H3/t6-,7?,8?/m1/s1
InChIKeyGWBNULLJLIWMNO-JECWYVHBSA-N
MW181.24 g/mol
LogP0.60
Rot. Bonds2

About (1R)-1-[2-(3-aminocyclobutyl)pyrazol-3-yl]ethanol

(1R)-1-[2-(3-aminocyclobutyl)pyrazol-3-yl]ethanol (PubChem CID 121440089) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is (1R)-1-[2-(3-aminocyclobutyl)pyrazol-3-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(3-aminocyclobutyl)pyrazol-3-yl]ethanol
PubChem CID121440089
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name(1R)-1-[2-(3-aminocyclobutyl)pyrazol-3-yl]ethanol
SMILESC[C@@H](O)c1ccnn1C1CC(N)C1
InChIInChI=1S/C9H15N3O/c1-6(13)9-2-3-11-12(9)8-4-7(10)5-8/h2-3,6-8,13H,4-5,10H2,1H3/t6-,7?,8?/m1/s1
InChIKeyGWBNULLJLIWMNO-JECWYVHBSA-N
XLogP0.60
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(3-aminocyclobutyl)pyrazol-3-yl]ethanol?
The IUPAC name of (1R)-1-[2-(3-aminocyclobutyl)pyrazol-3-yl]ethanol (CID 121440089) is (1R)-1-[2-(3-aminocyclobutyl)pyrazol-3-yl]ethanol.
What is the SMILES notation for (1R)-1-[2-(3-aminocyclobutyl)pyrazol-3-yl]ethanol?
The canonical SMILES for (1R)-1-[2-(3-aminocyclobutyl)pyrazol-3-yl]ethanol is C[C@@H](O)c1ccnn1C1CC(N)C1.
What is the InChIKey of (1R)-1-[2-(3-aminocyclobutyl)pyrazol-3-yl]ethanol?
The InChIKey is GWBNULLJLIWMNO-JECWYVHBSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6(13)9-2-3-11-12(9)8-4-7(10)5-8/h2-3,6-8,13H,4-5,10H2,1H3/t6-,7?,8?/m1/s1.
What are the key properties of (1R)-1-[2-(3-aminocyclobutyl)pyrazol-3-yl]ethanol?
(1R)-1-[2-(3-aminocyclobutyl)pyrazol-3-yl]ethanol has a molecular weight of 181.24 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(3-aminocyclobutyl)pyrazol-3-yl]ethanol is sourced from PubChem (CID 121440089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).