1-(1-cyclohexylpyrazol-3-yl)-3-ethoxy-N,3-dimethylbutan-2-amine

C17H31N3O — CID 116726577

IUPAC1-(1-cyclohexylpyrazol-3-yl)-3-ethoxy-N,3-dimethylbutan-2-amine
SMILESCCOC(C)(C)C(Cc1ccn(C2CCCCC2)n1)NC
InChIInChI=1S/C17H31N3O/c1-5-21-17(2,3)16(18-4)13-14-11-12-20(19-14)15-9-7-6-8-10-15/h11-12,15-16,18H,5-10,13H2,1-4H3
InChIKeyKYXQCEUKQMGVLV-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.33
Rot. Bonds7

About 1-(1-cyclohexylpyrazol-3-yl)-3-ethoxy-N,3-dimethylbutan-2-amine

1-(1-cyclohexylpyrazol-3-yl)-3-ethoxy-N,3-dimethylbutan-2-amine (PubChem CID 116726577) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is 1-(1-cyclohexylpyrazol-3-yl)-3-ethoxy-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-(1-cyclohexylpyrazol-3-yl)-3-ethoxy-N,3-dimethylbutan-2-amine
PubChem CID116726577
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name1-(1-cyclohexylpyrazol-3-yl)-3-ethoxy-N,3-dimethylbutan-2-amine
SMILESCCOC(C)(C)C(Cc1ccn(C2CCCCC2)n1)NC
InChIInChI=1S/C17H31N3O/c1-5-21-17(2,3)16(18-4)13-14-11-12-20(19-14)15-9-7-6-8-10-15/h11-12,15-16,18H,5-10,13H2,1-4H3
InChIKeyKYXQCEUKQMGVLV-UHFFFAOYSA-N
XLogP3.33
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1-cyclopentylpyrazol-3-yl)-3-ethoxy-3-methylbutan-2-yl]hydrazine
CID 105274040
1-(1-cyclopentylpyrazol-3-yl)-N,3-dimethyl-3-methylsulfonylbutan-2-amine
CID 104993943
[1-(1-cyclopentylpyrazol-3-yl)-3-ethyl-3-methoxypentan-2-yl]hydrazine
CID 105275362
3-ethoxy-N,3-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine
CID 116726693
1-(1-cyclopentylpyrazol-3-yl)-3-ethoxy-N-methylbutan-2-amine
CID 64778824
1-(1-cyclopentylpyrazol-3-yl)-4-ethoxy-N-methylbutan-2-amine
CID 105157055
1-(1-cyclopentylpyrazol-3-yl)-N,4-dimethylpentan-2-amine
CID 64784145
3-(1-cyclohexylpyrazol-3-yl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516696
1-(1-cyclohexylpyrazol-3-yl)-5,5,5-trifluoro-N-methylpentan-2-amine
CID 79954390
[3-(1-cyclopentylpyrazol-3-yl)-1,1-diethoxypropan-2-yl]hydrazine
CID 105246329
[1-(1-cyclohexylpyrazol-3-yl)-4-methylpentan-2-yl]hydrazine
CID 105199131
1-(1-cyclohexylpyrazol-3-yl)-3-methoxy-N,4-dimethylpentan-2-amine
CID 116720039

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-3-ethoxy-N,3-dimethylbutan-2-amine?
The IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-3-ethoxy-N,3-dimethylbutan-2-amine (CID 116726577) is 1-(1-cyclohexylpyrazol-3-yl)-3-ethoxy-N,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-(1-cyclohexylpyrazol-3-yl)-3-ethoxy-N,3-dimethylbutan-2-amine?
The canonical SMILES for 1-(1-cyclohexylpyrazol-3-yl)-3-ethoxy-N,3-dimethylbutan-2-amine is CCOC(C)(C)C(Cc1ccn(C2CCCCC2)n1)NC.
What is the InChIKey of 1-(1-cyclohexylpyrazol-3-yl)-3-ethoxy-N,3-dimethylbutan-2-amine?
The InChIKey is KYXQCEUKQMGVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-5-21-17(2,3)16(18-4)13-14-11-12-20(19-14)15-9-7-6-8-10-15/h11-12,15-16,18H,5-10,13H2,1-4H3.
What are the key properties of 1-(1-cyclohexylpyrazol-3-yl)-3-ethoxy-N,3-dimethylbutan-2-amine?
1-(1-cyclohexylpyrazol-3-yl)-3-ethoxy-N,3-dimethylbutan-2-amine has a molecular weight of 293.46 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpyrazol-3-yl)-3-ethoxy-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 116726577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).