(1R)-2-(tert-butylamino)-1-(3-ethyl-2H-indazol-4-yl)ethanol

C15H23N3O — CID 165375988

IUPAC(1R)-2-(tert-butylamino)-1-(3-ethyl-2H-indazol-4-yl)ethanol
SMILESCCc1[nH]nc2cccc([C@@H](O)CNC(C)(C)C)c12
InChIInChI=1S/C15H23N3O/c1-5-11-14-10(7-6-8-12(14)18-17-11)13(19)9-16-15(2,3)4/h6-8,13,16,19H,5,9H2,1-4H3,(H,17,18)/t13-/m0/s1
InChIKeyOEGRICJHCQTPBV-ZDUSSCGKSA-N
MW261.37 g/mol
LogP2.55
Rot. Bonds4

About (1R)-2-(tert-butylamino)-1-(3-ethyl-2H-indazol-4-yl)ethanol

(1R)-2-(tert-butylamino)-1-(3-ethyl-2H-indazol-4-yl)ethanol (PubChem CID 165375988) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (1R)-2-(tert-butylamino)-1-(3-ethyl-2H-indazol-4-yl)ethanol.

Molecular Properties

Compound Name(1R)-2-(tert-butylamino)-1-(3-ethyl-2H-indazol-4-yl)ethanol
PubChem CID165375988
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(1R)-2-(tert-butylamino)-1-(3-ethyl-2H-indazol-4-yl)ethanol
SMILESCCc1[nH]nc2cccc([C@@H](O)CNC(C)(C)C)c12
InChIInChI=1S/C15H23N3O/c1-5-11-14-10(7-6-8-12(14)18-17-11)13(19)9-16-15(2,3)4/h6-8,13,16,19H,5,9H2,1-4H3,(H,17,18)/t13-/m0/s1
InChIKeyOEGRICJHCQTPBV-ZDUSSCGKSA-N
XLogP2.55
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (1R)-2-(tert-butylamino)-1-(3-ethyl-2H-indazol-4-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(tert-butylamino)-1-(3-ethyl-2H-indazol-4-yl)ethanol?
The IUPAC name of (1R)-2-(tert-butylamino)-1-(3-ethyl-2H-indazol-4-yl)ethanol (CID 165375988) is (1R)-2-(tert-butylamino)-1-(3-ethyl-2H-indazol-4-yl)ethanol.
What is the SMILES notation for (1R)-2-(tert-butylamino)-1-(3-ethyl-2H-indazol-4-yl)ethanol?
The canonical SMILES for (1R)-2-(tert-butylamino)-1-(3-ethyl-2H-indazol-4-yl)ethanol is CCc1[nH]nc2cccc([C@@H](O)CNC(C)(C)C)c12.
What is the InChIKey of (1R)-2-(tert-butylamino)-1-(3-ethyl-2H-indazol-4-yl)ethanol?
The InChIKey is OEGRICJHCQTPBV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N3O/c1-5-11-14-10(7-6-8-12(14)18-17-11)13(19)9-16-15(2,3)4/h6-8,13,16,19H,5,9H2,1-4H3,(H,17,18)/t13-/m0/s1.
What are the key properties of (1R)-2-(tert-butylamino)-1-(3-ethyl-2H-indazol-4-yl)ethanol?
(1R)-2-(tert-butylamino)-1-(3-ethyl-2H-indazol-4-yl)ethanol has a molecular weight of 261.37 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(tert-butylamino)-1-(3-ethyl-2H-indazol-4-yl)ethanol is sourced from PubChem (CID 165375988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).