1-(2-methylcyclohexyl)oxy-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol

C15H27N3O2 — CID 82882583

IUPAC1-(2-methylcyclohexyl)oxy-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol
SMILESCC1CCCCC1OCC(O)CNCc1ccn(C)n1
InChIInChI=1S/C15H27N3O2/c1-12-5-3-4-6-15(12)20-11-14(19)10-16-9-13-7-8-18(2)17-13/h7-8,12,14-16,19H,3-6,9-11H2,1-2H3
InChIKeySYYOQKCZXTWCIU-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.47
Rot. Bonds7

About 1-(2-methylcyclohexyl)oxy-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol

1-(2-methylcyclohexyl)oxy-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol (PubChem CID 82882583) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(2-methylcyclohexyl)oxy-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(2-methylcyclohexyl)oxy-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol
PubChem CID82882583
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-(2-methylcyclohexyl)oxy-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol
SMILESCC1CCCCC1OCC(O)CNCc1ccn(C)n1
InChIInChI=1S/C15H27N3O2/c1-12-5-3-4-6-15(12)20-11-14(19)10-16-9-13-7-8-18(2)17-13/h7-8,12,14-16,19H,3-6,9-11H2,1-2H3
InChIKeySYYOQKCZXTWCIU-UHFFFAOYSA-N
XLogP1.47
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylcyclohexyl)oxy-3-[2-(1-methylpyrazol-3-yl)ethylamino]propan-2-ol
CID 106104795
1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol
CID 82873101
1-[(4-fluorophenyl)methylamino]-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 60632525
1-(2-methylcyclohexyl)oxy-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 60633182
1-(2-methylcyclohexyl)oxy-3-(2-methylpropylamino)propan-2-ol
CID 60635615
1-(2-hydroxypropylamino)-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 60634518
1-(2,4-dimethylphenoxy)-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol
CID 82873087
2-[2-hydroxy-3-[(1-methylpyrazol-3-yl)methylamino]propoxy]benzonitrile
CID 82873099
3-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]-2,2-dimethylpropan-1-ol
CID 115359847
1-(2-methylcyclohexyl)oxy-3-[(1-methylpyrrolidin-2-yl)methylamino]propan-2-ol
CID 106025685
4-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]butan-2-ol
CID 64910999
1-(2-methylcyclohexyl)oxy-3-(2-thiomorpholin-4-ylethylamino)propan-2-ol
CID 106325720

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclohexyl)oxy-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol?
The IUPAC name of 1-(2-methylcyclohexyl)oxy-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol (CID 82882583) is 1-(2-methylcyclohexyl)oxy-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(2-methylcyclohexyl)oxy-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-(2-methylcyclohexyl)oxy-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol is CC1CCCCC1OCC(O)CNCc1ccn(C)n1.
What is the InChIKey of 1-(2-methylcyclohexyl)oxy-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol?
The InChIKey is SYYOQKCZXTWCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-12-5-3-4-6-15(12)20-11-14(19)10-16-9-13-7-8-18(2)17-13/h7-8,12,14-16,19H,3-6,9-11H2,1-2H3.
What are the key properties of 1-(2-methylcyclohexyl)oxy-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol?
1-(2-methylcyclohexyl)oxy-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol has a molecular weight of 281.40 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclohexyl)oxy-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol is sourced from PubChem (CID 82882583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).