1-(1-cyclohexylpyrazol-3-yl)-3-methoxy-N,4-dimethylpentan-2-amine

C17H31N3O — CID 116720039

IUPAC1-(1-cyclohexylpyrazol-3-yl)-3-methoxy-N,4-dimethylpentan-2-amine
SMILESCNC(Cc1ccn(C2CCCCC2)n1)C(OC)C(C)C
InChIInChI=1S/C17H31N3O/c1-13(2)17(21-4)16(18-3)12-14-10-11-20(19-14)15-8-6-5-7-9-15/h10-11,13,15-18H,5-9,12H2,1-4H3
InChIKeyGEOLZYNPLCHLNU-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.19
Rot. Bonds7

About 1-(1-cyclohexylpyrazol-3-yl)-3-methoxy-N,4-dimethylpentan-2-amine

1-(1-cyclohexylpyrazol-3-yl)-3-methoxy-N,4-dimethylpentan-2-amine (PubChem CID 116720039) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is 1-(1-cyclohexylpyrazol-3-yl)-3-methoxy-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(1-cyclohexylpyrazol-3-yl)-3-methoxy-N,4-dimethylpentan-2-amine
PubChem CID116720039
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name1-(1-cyclohexylpyrazol-3-yl)-3-methoxy-N,4-dimethylpentan-2-amine
SMILESCNC(Cc1ccn(C2CCCCC2)n1)C(OC)C(C)C
InChIInChI=1S/C17H31N3O/c1-13(2)17(21-4)16(18-3)12-14-10-11-20(19-14)15-8-6-5-7-9-15/h10-11,13,15-18H,5-9,12H2,1-4H3
InChIKeyGEOLZYNPLCHLNU-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-cyclopentylpyrazol-3-yl)-3-methoxy-4-methylpentan-2-amine
CID 116719628
3-(1-cyclohexylpyrazol-3-yl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516696
1-(1-cyclopentylpyrazol-3-yl)-3-ethoxy-N-methylbutan-2-amine
CID 64778824
1-(1-cyclopentylpyrazol-3-yl)-N,3-dimethylhexan-2-amine
CID 104993857
1-(1-cyclohexylpyrazol-3-yl)-3-methoxybutan-2-ol
CID 79616778
[3-(1-cyclopentylpyrazol-3-yl)-1-cyclopropyl-1-methoxypropan-2-yl]hydrazine
CID 105272726
1-(1-cyclopentylpyrazol-3-yl)-N,4-dimethylpentan-2-amine
CID 64784145
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485
[1-(1-cyclohexylpyrazol-3-yl)-5-methoxyhexan-2-yl]hydrazine
CID 105311723
2-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylbutan-1-amine
CID 64778280
1-(1-cyclopentylpyrazol-3-yl)-3-cyclopropyl-N-ethylbutan-2-amine
CID 104993917
1-(1-cyclohexylpyrazol-3-yl)-3-methoxypropan-2-amine
CID 64779791

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-3-methoxy-N,4-dimethylpentan-2-amine?
The IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-3-methoxy-N,4-dimethylpentan-2-amine (CID 116720039) is 1-(1-cyclohexylpyrazol-3-yl)-3-methoxy-N,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-(1-cyclohexylpyrazol-3-yl)-3-methoxy-N,4-dimethylpentan-2-amine?
The canonical SMILES for 1-(1-cyclohexylpyrazol-3-yl)-3-methoxy-N,4-dimethylpentan-2-amine is CNC(Cc1ccn(C2CCCCC2)n1)C(OC)C(C)C.
What is the InChIKey of 1-(1-cyclohexylpyrazol-3-yl)-3-methoxy-N,4-dimethylpentan-2-amine?
The InChIKey is GEOLZYNPLCHLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-13(2)17(21-4)16(18-3)12-14-10-11-20(19-14)15-8-6-5-7-9-15/h10-11,13,15-18H,5-9,12H2,1-4H3.
What are the key properties of 1-(1-cyclohexylpyrazol-3-yl)-3-methoxy-N,4-dimethylpentan-2-amine?
1-(1-cyclohexylpyrazol-3-yl)-3-methoxy-N,4-dimethylpentan-2-amine has a molecular weight of 293.46 g/mol, XLogP of 3.19, 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-methoxy-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 116720039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).