5-amino-1-(1-ethylindazol-3-yl)-2-(methoxymethyl)pentan-2-ol

C16H25N3O2 — CID 103391529

IUPAC5-amino-1-(1-ethylindazol-3-yl)-2-(methoxymethyl)pentan-2-ol
SMILESCCn1nc(CC(O)(CCCN)COC)c2ccccc21
InChIInChI=1S/C16H25N3O2/c1-3-19-15-8-5-4-7-13(15)14(18-19)11-16(20,12-21-2)9-6-10-17/h4-5,7-8,20H,3,6,9-12,17H2,1-2H3
InChIKeyPALBWCHODDGVQD-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.72
Rot. Bonds8

About 5-amino-1-(1-ethylindazol-3-yl)-2-(methoxymethyl)pentan-2-ol

5-amino-1-(1-ethylindazol-3-yl)-2-(methoxymethyl)pentan-2-ol (PubChem CID 103391529) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 5-amino-1-(1-ethylindazol-3-yl)-2-(methoxymethyl)pentan-2-ol.

Molecular Properties

Compound Name5-amino-1-(1-ethylindazol-3-yl)-2-(methoxymethyl)pentan-2-ol
PubChem CID103391529
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name5-amino-1-(1-ethylindazol-3-yl)-2-(methoxymethyl)pentan-2-ol
SMILESCCn1nc(CC(O)(CCCN)COC)c2ccccc21
InChIInChI=1S/C16H25N3O2/c1-3-19-15-8-5-4-7-13(15)14(18-19)11-16(20,12-21-2)9-6-10-17/h4-5,7-8,20H,3,6,9-12,17H2,1-2H3
InChIKeyPALBWCHODDGVQD-UHFFFAOYSA-N
XLogP1.72
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-2-(methoxymethyl)pentan-2-ol
CID 103391462
2-[(1-ethylindazol-3-yl)methyl]-2-fluoropentan-1-amine
CID 112567902
2-[(1-ethylindazol-3-yl)methyl]-2-methylpropane-1,3-diol
CID 79449826
6-amino-1-(1-ethylindazol-3-yl)hexan-2-one
CID 116572138
5-amino-1-(2-chlorophenyl)-2-(methoxymethyl)pentan-2-ol
CID 103391426
2-[(1-ethylindazol-3-yl)methyl]-2-methylpentan-1-ol
CID 66026128
2-(aminomethyl)-2-[(1-ethylindazol-3-yl)methyl]butanoic acid
CID 106487389
7-amino-1-(1-ethylindazol-3-yl)heptan-2-one
CID 116550158
1-(tert-butylamino)-3-(1-ethylindazol-3-yl)-2-methylpropan-2-ol
CID 66037989
6-amino-1-(1-ethylindazol-3-yl)-3-methylhexan-2-one
CID 116613650
3-[2-(chloromethyl)-2-methylpentyl]-1-ethylindazole
CID 66034467
1-(1-ethylindazol-3-yl)-3-methoxy-4,4-dimethylpentan-2-ol
CID 116712988

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(1-ethylindazol-3-yl)-2-(methoxymethyl)pentan-2-ol?
The IUPAC name of 5-amino-1-(1-ethylindazol-3-yl)-2-(methoxymethyl)pentan-2-ol (CID 103391529) is 5-amino-1-(1-ethylindazol-3-yl)-2-(methoxymethyl)pentan-2-ol.
What is the SMILES notation for 5-amino-1-(1-ethylindazol-3-yl)-2-(methoxymethyl)pentan-2-ol?
The canonical SMILES for 5-amino-1-(1-ethylindazol-3-yl)-2-(methoxymethyl)pentan-2-ol is CCn1nc(CC(O)(CCCN)COC)c2ccccc21.
What is the InChIKey of 5-amino-1-(1-ethylindazol-3-yl)-2-(methoxymethyl)pentan-2-ol?
The InChIKey is PALBWCHODDGVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-19-15-8-5-4-7-13(15)14(18-19)11-16(20,12-21-2)9-6-10-17/h4-5,7-8,20H,3,6,9-12,17H2,1-2H3.
What are the key properties of 5-amino-1-(1-ethylindazol-3-yl)-2-(methoxymethyl)pentan-2-ol?
5-amino-1-(1-ethylindazol-3-yl)-2-(methoxymethyl)pentan-2-ol has a molecular weight of 291.39 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(1-ethylindazol-3-yl)-2-(methoxymethyl)pentan-2-ol is sourced from PubChem (CID 103391529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).