1-(2-ethylcyclohexyl)oxy-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol

C16H29N3O2 — CID 61351185

IUPAC1-(2-ethylcyclohexyl)oxy-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol
SMILESCCC1CCCCC1OCC(O)CNCc1cnn(C)c1
InChIInChI=1S/C16H29N3O2/c1-3-14-6-4-5-7-16(14)21-12-15(20)10-17-8-13-9-18-19(2)11-13/h9,11,14-17,20H,3-8,10,12H2,1-2H3
InChIKeyIUURSQFSVNTHAN-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.86
Rot. Bonds8

About 1-(2-ethylcyclohexyl)oxy-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol

1-(2-ethylcyclohexyl)oxy-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol (PubChem CID 61351185) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)oxy-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)oxy-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol
PubChem CID61351185
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name1-(2-ethylcyclohexyl)oxy-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol
SMILESCCC1CCCCC1OCC(O)CNCc1cnn(C)c1
InChIInChI=1S/C16H29N3O2/c1-3-14-6-4-5-7-16(14)21-12-15(20)10-17-8-13-9-18-19(2)11-13/h9,11,14-17,20H,3-8,10,12H2,1-2H3
InChIKeyIUURSQFSVNTHAN-UHFFFAOYSA-N
XLogP1.86
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylpentan-2-yloxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol
CID 61349844
1-(cyclohexylmethylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol
CID 60633455
(2R)-3-[(1-methylpyrazol-4-yl)methylamino]propane-1,2-diol
CID 165487520
1-(4-bromophenoxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol
CID 61349091
1-cyclopentyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 43370784
2-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 64927615
1-(2-ethylcyclohexyl)oxy-3-(3-methylbut-2-enylamino)propan-2-ol
CID 106188853
1-(2-ethylcyclohexyl)oxy-3-(pent-3-ynylamino)propan-2-ol
CID 116643947
3-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2,2-dimethylpropanamide
CID 106275918
2-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-N,N-dimethylacetamide
CID 60901795
1-(2-methylcyclohexyl)oxy-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol
CID 82882583
2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
CID 61349630

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)oxy-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol?
The IUPAC name of 1-(2-ethylcyclohexyl)oxy-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol (CID 61351185) is 1-(2-ethylcyclohexyl)oxy-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(2-ethylcyclohexyl)oxy-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-(2-ethylcyclohexyl)oxy-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol is CCC1CCCCC1OCC(O)CNCc1cnn(C)c1.
What is the InChIKey of 1-(2-ethylcyclohexyl)oxy-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol?
The InChIKey is IUURSQFSVNTHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-3-14-6-4-5-7-16(14)21-12-15(20)10-17-8-13-9-18-19(2)11-13/h9,11,14-17,20H,3-8,10,12H2,1-2H3.
What are the key properties of 1-(2-ethylcyclohexyl)oxy-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol?
1-(2-ethylcyclohexyl)oxy-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol has a molecular weight of 295.43 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)oxy-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol is sourced from PubChem (CID 61351185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).