(1R)-1-(3-methyl-2H-indazol-4-yl)-2-(propan-2-ylamino)ethanol

C13H19N3O — CID 165375977

IUPAC(1R)-1-(3-methyl-2H-indazol-4-yl)-2-(propan-2-ylamino)ethanol
SMILESCc1[nH]nc2cccc([C@@H](O)CNC(C)C)c12
InChIInChI=1S/C13H19N3O/c1-8(2)14-7-12(17)10-5-4-6-11-13(10)9(3)15-16-11/h4-6,8,12,14,17H,7H2,1-3H3,(H,15,16)/t12-/m0/s1
InChIKeyCUWGFEOKVWPWMU-LBPRGKRZSA-N
MW233.31 g/mol
LogP1.90
Rot. Bonds4

About (1R)-1-(3-methyl-2H-indazol-4-yl)-2-(propan-2-ylamino)ethanol

(1R)-1-(3-methyl-2H-indazol-4-yl)-2-(propan-2-ylamino)ethanol (PubChem CID 165375977) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (1R)-1-(3-methyl-2H-indazol-4-yl)-2-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name(1R)-1-(3-methyl-2H-indazol-4-yl)-2-(propan-2-ylamino)ethanol
PubChem CID165375977
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(1R)-1-(3-methyl-2H-indazol-4-yl)-2-(propan-2-ylamino)ethanol
SMILESCc1[nH]nc2cccc([C@@H](O)CNC(C)C)c12
InChIInChI=1S/C13H19N3O/c1-8(2)14-7-12(17)10-5-4-6-11-13(10)9(3)15-16-11/h4-6,8,12,14,17H,7H2,1-3H3,(H,15,16)/t12-/m0/s1
InChIKeyCUWGFEOKVWPWMU-LBPRGKRZSA-N
XLogP1.90
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-methyl-2H-indazol-4-yl)-2-(propan-2-ylamino)ethanol?
The IUPAC name of (1R)-1-(3-methyl-2H-indazol-4-yl)-2-(propan-2-ylamino)ethanol (CID 165375977) is (1R)-1-(3-methyl-2H-indazol-4-yl)-2-(propan-2-ylamino)ethanol.
What is the SMILES notation for (1R)-1-(3-methyl-2H-indazol-4-yl)-2-(propan-2-ylamino)ethanol?
The canonical SMILES for (1R)-1-(3-methyl-2H-indazol-4-yl)-2-(propan-2-ylamino)ethanol is Cc1[nH]nc2cccc([C@@H](O)CNC(C)C)c12.
What is the InChIKey of (1R)-1-(3-methyl-2H-indazol-4-yl)-2-(propan-2-ylamino)ethanol?
The InChIKey is CUWGFEOKVWPWMU-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19N3O/c1-8(2)14-7-12(17)10-5-4-6-11-13(10)9(3)15-16-11/h4-6,8,12,14,17H,7H2,1-3H3,(H,15,16)/t12-/m0/s1.
What are the key properties of (1R)-1-(3-methyl-2H-indazol-4-yl)-2-(propan-2-ylamino)ethanol?
(1R)-1-(3-methyl-2H-indazol-4-yl)-2-(propan-2-ylamino)ethanol has a molecular weight of 233.31 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-methyl-2H-indazol-4-yl)-2-(propan-2-ylamino)ethanol is sourced from PubChem (CID 165375977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).