3-(3,5-dimethylpyrazol-1-yl)-1-(methylamino)cyclohexane-1-carbonitrile

C13H20N4 — CID 79625900

IUPAC3-(3,5-dimethylpyrazol-1-yl)-1-(methylamino)cyclohexane-1-carbonitrile
SMILESCNC1(C#N)CCCC(n2nc(C)cc2C)C1
InChIInChI=1S/C13H20N4/c1-10-7-11(2)17(16-10)12-5-4-6-13(8-12,9-14)15-3/h7,12,15H,4-6,8H2,1-3H3
InChIKeyWSEXXPIVRKSAQK-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.10
Rot. Bonds2

About 3-(3,5-dimethylpyrazol-1-yl)-1-(methylamino)cyclohexane-1-carbonitrile

3-(3,5-dimethylpyrazol-1-yl)-1-(methylamino)cyclohexane-1-carbonitrile (PubChem CID 79625900) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-1-(methylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-1-(methylamino)cyclohexane-1-carbonitrile
PubChem CID79625900
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-1-(methylamino)cyclohexane-1-carbonitrile
SMILESCNC1(C#N)CCCC(n2nc(C)cc2C)C1
InChIInChI=1S/C13H20N4/c1-10-7-11(2)17(16-10)12-5-4-6-13(8-12,9-14)15-3/h7,12,15H,4-6,8H2,1-3H3
InChIKeyWSEXXPIVRKSAQK-UHFFFAOYSA-N
XLogP2.10
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethylpyrazol-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79626046
3-(4-iodopyrazol-1-yl)-1-(methylamino)cyclohexane-1-carbonitrile
CID 79625083
ethyl 3-(3,5-dimethylpyrazol-1-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 79641995
[3-(3,5-dimethylpyrazol-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79641284
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(methylamino)cyclohexane-1-carbonitrile
CID 79635948
3-(2-cyclopentylpyrrolidin-1-yl)-1-(methylamino)cyclohexane-1-carbonitrile
CID 79625200
1-(cyclopropylamino)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)cyclohexane-1-carbonitrile
CID 79625010
1-(cyclopropylamino)-3-(3,4,5-trimethylpyrazol-1-yl)cyclohexane-1-carbonitrile
CID 79625076
methyl 3-(3,5-dimethylpyrazol-1-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79634142
1-(cyclopropylamino)-3-(3,5-diethylpyrazol-1-yl)cyclohexane-1-carbonitrile
CID 82698987
1-(methylamino)-3-(4-methylsulfonylpiperazin-1-yl)cyclohexane-1-carbonitrile
CID 79625510
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79624943

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1-(methylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1-(methylamino)cyclohexane-1-carbonitrile (CID 79625900) is 3-(3,5-dimethylpyrazol-1-yl)-1-(methylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-1-(methylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-1-(methylamino)cyclohexane-1-carbonitrile is CNC1(C#N)CCCC(n2nc(C)cc2C)C1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-1-(methylamino)cyclohexane-1-carbonitrile?
The InChIKey is WSEXXPIVRKSAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-10-7-11(2)17(16-10)12-5-4-6-13(8-12,9-14)15-3/h7,12,15H,4-6,8H2,1-3H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-1-(methylamino)cyclohexane-1-carbonitrile?
3-(3,5-dimethylpyrazol-1-yl)-1-(methylamino)cyclohexane-1-carbonitrile has a molecular weight of 232.33 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-1-(methylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 79625900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).