2-[(4R)-4-amino-4,5,6,7-tetrahydroindazol-1-yl]ethyl acetate

C11H17N3O2 — CID 174616856

IUPAC2-[(4R)-4-amino-4,5,6,7-tetrahydroindazol-1-yl]ethyl acetate
SMILESCC(=O)OCCn1ncc2c1CCC[C@H]2N
InChIInChI=1S/C11H17N3O2/c1-8(15)16-6-5-14-11-4-2-3-10(12)9(11)7-13-14/h7,10H,2-6,12H2,1H3/t10-/m1/s1
InChIKeyQDKGDRZKVAZRSC-SNVBAGLBSA-N
MW223.28 g/mol
LogP0.78
Rot. Bonds3

About 2-[(4R)-4-amino-4,5,6,7-tetrahydroindazol-1-yl]ethyl acetate

2-[(4R)-4-amino-4,5,6,7-tetrahydroindazol-1-yl]ethyl acetate (PubChem CID 174616856) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[(4R)-4-amino-4,5,6,7-tetrahydroindazol-1-yl]ethyl acetate.

Molecular Properties

Compound Name2-[(4R)-4-amino-4,5,6,7-tetrahydroindazol-1-yl]ethyl acetate
PubChem CID174616856
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-[(4R)-4-amino-4,5,6,7-tetrahydroindazol-1-yl]ethyl acetate
SMILESCC(=O)OCCn1ncc2c1CCC[C@H]2N
InChIInChI=1S/C11H17N3O2/c1-8(15)16-6-5-14-11-4-2-3-10(12)9(11)7-13-14/h7,10H,2-6,12H2,1H3/t10-/m1/s1
InChIKeyQDKGDRZKVAZRSC-SNVBAGLBSA-N
XLogP0.78
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-amino-4,5,6,7-tetrahydroindazol-1-yl]ethyl acetate?
The IUPAC name of 2-[(4R)-4-amino-4,5,6,7-tetrahydroindazol-1-yl]ethyl acetate (CID 174616856) is 2-[(4R)-4-amino-4,5,6,7-tetrahydroindazol-1-yl]ethyl acetate.
What is the SMILES notation for 2-[(4R)-4-amino-4,5,6,7-tetrahydroindazol-1-yl]ethyl acetate?
The canonical SMILES for 2-[(4R)-4-amino-4,5,6,7-tetrahydroindazol-1-yl]ethyl acetate is CC(=O)OCCn1ncc2c1CCC[C@H]2N.
What is the InChIKey of 2-[(4R)-4-amino-4,5,6,7-tetrahydroindazol-1-yl]ethyl acetate?
The InChIKey is QDKGDRZKVAZRSC-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8(15)16-6-5-14-11-4-2-3-10(12)9(11)7-13-14/h7,10H,2-6,12H2,1H3/t10-/m1/s1.
What are the key properties of 2-[(4R)-4-amino-4,5,6,7-tetrahydroindazol-1-yl]ethyl acetate?
2-[(4R)-4-amino-4,5,6,7-tetrahydroindazol-1-yl]ethyl acetate has a molecular weight of 223.28 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-amino-4,5,6,7-tetrahydroindazol-1-yl]ethyl acetate is sourced from PubChem (CID 174616856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).