1-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]cycloheptan-1-ol

C17H31N3O — CID 65123003

IUPAC1-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]cycloheptan-1-ol
SMILESCCn1nc(C)c(C(C)NCC2(O)CCCCCC2)c1C
InChIInChI=1S/C17H31N3O/c1-5-20-15(4)16(14(3)19-20)13(2)18-12-17(21)10-8-6-7-9-11-17/h13,18,21H,5-12H2,1-4H3
InChIKeyAUSZOZWBRDHOCC-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.26
Rot. Bonds5

About 1-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]cycloheptan-1-ol

1-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]cycloheptan-1-ol (PubChem CID 65123003) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is 1-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]cycloheptan-1-ol
PubChem CID65123003
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name1-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]cycloheptan-1-ol
SMILESCCn1nc(C)c(C(C)NCC2(O)CCCCCC2)c1C
InChIInChI=1S/C17H31N3O/c1-5-20-15(4)16(14(3)19-20)13(2)18-12-17(21)10-8-6-7-9-11-17/h13,18,21H,5-12H2,1-4H3
InChIKeyAUSZOZWBRDHOCC-UHFFFAOYSA-N
XLogP3.26
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine
CID 113348764
N-[(1-ethylcyclobutyl)methyl]-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine
CID 103788328
1-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 111104684
3-ethyl-1-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]pentan-2-ol
CID 103783078
4-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]oxan-4-ol
CID 81131016
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine
CID 104705779
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]hex-5-yn-1-amine
CID 103903590
1-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol
CID 65197436
3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-2,2-dimethylpropan-1-ol
CID 113293722
3-cyclopentyl-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 103776522
[1-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]cyclohexyl]methanol
CID 115892930
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-methylsulfanylpropan-1-amine
CID 63980803

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]cycloheptan-1-ol (CID 65123003) is 1-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]cycloheptan-1-ol is CCn1nc(C)c(C(C)NCC2(O)CCCCCC2)c1C.
What is the InChIKey of 1-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]cycloheptan-1-ol?
The InChIKey is AUSZOZWBRDHOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-5-20-15(4)16(14(3)19-20)13(2)18-12-17(21)10-8-6-7-9-11-17/h13,18,21H,5-12H2,1-4H3.
What are the key properties of 1-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]cycloheptan-1-ol?
1-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]cycloheptan-1-ol has a molecular weight of 293.46 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 65123003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).