[3-indazol-1-yl-1-(propylamino)cyclohexyl]methanol

C17H25N3O — CID 79638462

IUPAC[3-indazol-1-yl-1-(propylamino)cyclohexyl]methanol
SMILESCCCNC1(CO)CCCC(n2ncc3ccccc32)C1
InChIInChI=1S/C17H25N3O/c1-2-10-18-17(13-21)9-5-7-15(11-17)20-16-8-4-3-6-14(16)12-19-20/h3-4,6,8,12,15,18,21H,2,5,7,9-11,13H2,1H3
InChIKeyCSYBWBPWAGWBGL-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.88
Rot. Bonds5

About [3-indazol-1-yl-1-(propylamino)cyclohexyl]methanol

[3-indazol-1-yl-1-(propylamino)cyclohexyl]methanol (PubChem CID 79638462) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is [3-indazol-1-yl-1-(propylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-indazol-1-yl-1-(propylamino)cyclohexyl]methanol
PubChem CID79638462
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name[3-indazol-1-yl-1-(propylamino)cyclohexyl]methanol
SMILESCCCNC1(CO)CCCC(n2ncc3ccccc32)C1
InChIInChI=1S/C17H25N3O/c1-2-10-18-17(13-21)9-5-7-15(11-17)20-16-8-4-3-6-14(16)12-19-20/h3-4,6,8,12,15,18,21H,2,5,7,9-11,13H2,1H3
InChIKeyCSYBWBPWAGWBGL-UHFFFAOYSA-N
XLogP2.88
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(cyclopropylamino)-3-indazol-1-ylcyclohexyl]methanol
CID 79638463
[3-(4-bromopyrazol-1-yl)-1-(propylamino)cyclohexyl]methanol
CID 79641286
[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(propylamino)cyclohexyl]methanol
CID 79641045
[1-(propylamino)-3-pyrrolidin-1-ylcyclohexyl]methanol
CID 79634717
[3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexyl]methanol
CID 79635833
[3-(benzimidazol-1-yl)-1-(propylamino)cyclopentyl]methanol
CID 79647543
1-amino-3-indazol-1-ylcyclohexane-1-carboxamide
CID 79637456
[3-(2,6-dimethylmorpholin-4-yl)-1-(propylamino)cyclohexyl]methanol
CID 79634551
[2-[3-(hydroxymethyl)-3-(propylamino)cyclohexyl]oxyphenyl]methanol
CID 79638491
1-(cyclopropylamino)-3-indazol-1-ylcyclopentane-1-carboxylic acid
CID 79646182
[3-phenoxy-1-(propylamino)cyclopentyl]methanol
CID 79645048
[3-(2,4-difluorophenoxy)-1-(propylamino)cyclohexyl]methanol
CID 79638624

Frequently Asked Questions

What is the IUPAC name of [3-indazol-1-yl-1-(propylamino)cyclohexyl]methanol?
The IUPAC name of [3-indazol-1-yl-1-(propylamino)cyclohexyl]methanol (CID 79638462) is [3-indazol-1-yl-1-(propylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-indazol-1-yl-1-(propylamino)cyclohexyl]methanol?
The canonical SMILES for [3-indazol-1-yl-1-(propylamino)cyclohexyl]methanol is CCCNC1(CO)CCCC(n2ncc3ccccc32)C1.
What is the InChIKey of [3-indazol-1-yl-1-(propylamino)cyclohexyl]methanol?
The InChIKey is CSYBWBPWAGWBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-2-10-18-17(13-21)9-5-7-15(11-17)20-16-8-4-3-6-14(16)12-19-20/h3-4,6,8,12,15,18,21H,2,5,7,9-11,13H2,1H3.
What are the key properties of [3-indazol-1-yl-1-(propylamino)cyclohexyl]methanol?
[3-indazol-1-yl-1-(propylamino)cyclohexyl]methanol has a molecular weight of 287.41 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-indazol-1-yl-1-(propylamino)cyclohexyl]methanol is sourced from PubChem (CID 79638462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).