2-[[(1-cyclohexylpyrazol-3-yl)methylamino]methyl]-2-ethylbutan-1-ol

C17H31N3O — CID 106256545

IUPAC2-[[(1-cyclohexylpyrazol-3-yl)methylamino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNCc1ccn(C2CCCCC2)n1
InChIInChI=1S/C17H31N3O/c1-3-17(4-2,14-21)13-18-12-15-10-11-20(19-15)16-8-6-5-7-9-16/h10-11,16,18,21H,3-9,12-14H2,1-2H3
InChIKeyRZOYLBFFBHSJKD-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.28
Rot. Bonds8

About 2-[[(1-cyclohexylpyrazol-3-yl)methylamino]methyl]-2-ethylbutan-1-ol

2-[[(1-cyclohexylpyrazol-3-yl)methylamino]methyl]-2-ethylbutan-1-ol (PubChem CID 106256545) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-[[(1-cyclohexylpyrazol-3-yl)methylamino]methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[[(1-cyclohexylpyrazol-3-yl)methylamino]methyl]-2-ethylbutan-1-ol
PubChem CID106256545
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name2-[[(1-cyclohexylpyrazol-3-yl)methylamino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNCc1ccn(C2CCCCC2)n1
InChIInChI=1S/C17H31N3O/c1-3-17(4-2,14-21)13-18-12-15-10-11-20(19-15)16-8-6-5-7-9-16/h10-11,16,18,21H,3-9,12-14H2,1-2H3
InChIKeyRZOYLBFFBHSJKD-UHFFFAOYSA-N
XLogP3.28
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-cyclohexylpyrazol-3-yl)methyl]-2,2-dimethylbutan-1-amine
CID 103461395
2-[(1-cyclohexylpyrazol-3-yl)methylamino]-2-methylbutan-1-ol
CID 64800330
3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylpropan-1-amine
CID 113294661
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylbutan-2-amine
CID 64801383
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]ethanamine
CID 64776990
N-[(1-cyclohexylpyrazol-3-yl)methyl]hexan-1-amine
CID 64799565
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-ethylphenyl)methanamine
CID 103816376
1-cyclohexyl-3-ethylpyrazole
CID 66014335
3-[[(1-cyclohexylpyrazol-3-yl)methylamino]methyl]cyclobutan-1-ol
CID 66004626
ethyl 3-[(1-cyclopentylpyrazol-3-yl)methylamino]propanoate
CID 64800694
N-[(1-cyclohexylpyrazol-3-yl)methyl]pentan-3-amine
CID 64799267
1-(1-cyclohexylpyrazol-3-yl)-N-ethoxymethanamine
CID 64975019

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-cyclohexylpyrazol-3-yl)methylamino]methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[[(1-cyclohexylpyrazol-3-yl)methylamino]methyl]-2-ethylbutan-1-ol (CID 106256545) is 2-[[(1-cyclohexylpyrazol-3-yl)methylamino]methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[[(1-cyclohexylpyrazol-3-yl)methylamino]methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[[(1-cyclohexylpyrazol-3-yl)methylamino]methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CNCc1ccn(C2CCCCC2)n1.
What is the InChIKey of 2-[[(1-cyclohexylpyrazol-3-yl)methylamino]methyl]-2-ethylbutan-1-ol?
The InChIKey is RZOYLBFFBHSJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-3-17(4-2,14-21)13-18-12-15-10-11-20(19-15)16-8-6-5-7-9-16/h10-11,16,18,21H,3-9,12-14H2,1-2H3.
What are the key properties of 2-[[(1-cyclohexylpyrazol-3-yl)methylamino]methyl]-2-ethylbutan-1-ol?
2-[[(1-cyclohexylpyrazol-3-yl)methylamino]methyl]-2-ethylbutan-1-ol has a molecular weight of 293.45 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-cyclohexylpyrazol-3-yl)methylamino]methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 106256545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).