1-(cyclopropylamino)-3-(3,4,5-trimethylpyrazol-1-yl)cyclohexane-1-carbonitrile

C16H24N4 — CID 79625076

IUPAC1-(cyclopropylamino)-3-(3,4,5-trimethylpyrazol-1-yl)cyclohexane-1-carbonitrile
SMILESCc1nn(C2CCCC(C#N)(NC3CC3)C2)c(C)c1C
InChIInChI=1S/C16H24N4/c1-11-12(2)19-20(13(11)3)15-5-4-8-16(9-15,10-17)18-14-6-7-14/h14-15,18H,4-9H2,1-3H3
InChIKeyXSDADZORYFJVBJ-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.94
Rot. Bonds3

About 1-(cyclopropylamino)-3-(3,4,5-trimethylpyrazol-1-yl)cyclohexane-1-carbonitrile

1-(cyclopropylamino)-3-(3,4,5-trimethylpyrazol-1-yl)cyclohexane-1-carbonitrile (PubChem CID 79625076) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(3,4,5-trimethylpyrazol-1-yl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(3,4,5-trimethylpyrazol-1-yl)cyclohexane-1-carbonitrile
PubChem CID79625076
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name1-(cyclopropylamino)-3-(3,4,5-trimethylpyrazol-1-yl)cyclohexane-1-carbonitrile
SMILESCc1nn(C2CCCC(C#N)(NC3CC3)C2)c(C)c1C
InChIInChI=1S/C16H24N4/c1-11-12(2)19-20(13(11)3)15-5-4-8-16(9-15,10-17)18-14-6-7-14/h14-15,18H,4-9H2,1-3H3
InChIKeyXSDADZORYFJVBJ-UHFFFAOYSA-N
XLogP2.94
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylamino)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)cyclohexane-1-carbonitrile
CID 79625010
3-(4-chloro-3-methylpyrazol-1-yl)-1-(cyclopropylamino)cyclohexane-1-carbonitrile
CID 79625016
1-(cyclopropylamino)-3-(3,5-diethylpyrazol-1-yl)cyclohexane-1-carbonitrile
CID 82698987
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79624943
1-(cyclopropylamino)-3-(4,4-dimethylazepan-1-yl)cyclohexane-1-carbonitrile
CID 79628418
1-(cyclopropylamino)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexane-1-carbonitrile
CID 79626679
1-(cyclopropylamino)-3-(3,3-dimethylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 79625967
1-(cyclopropylamino)-3-(2,4-dimethylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 79625352
3-(3,5-dimethylpyrazol-1-yl)-1-(methylamino)cyclohexane-1-carbonitrile
CID 79625900
1-(cyclopropylamino)-3-(3,3,4-trimethylpiperazin-1-yl)cyclohexane-1-carbonitrile
CID 79627045
3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(cyclopropylamino)cyclohexane-1-carbonitrile
CID 79626027
1-(cyclopropylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexane-1-carbonitrile
CID 79637088

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(3,4,5-trimethylpyrazol-1-yl)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(cyclopropylamino)-3-(3,4,5-trimethylpyrazol-1-yl)cyclohexane-1-carbonitrile (CID 79625076) is 1-(cyclopropylamino)-3-(3,4,5-trimethylpyrazol-1-yl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopropylamino)-3-(3,4,5-trimethylpyrazol-1-yl)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(cyclopropylamino)-3-(3,4,5-trimethylpyrazol-1-yl)cyclohexane-1-carbonitrile is Cc1nn(C2CCCC(C#N)(NC3CC3)C2)c(C)c1C.
What is the InChIKey of 1-(cyclopropylamino)-3-(3,4,5-trimethylpyrazol-1-yl)cyclohexane-1-carbonitrile?
The InChIKey is XSDADZORYFJVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-11-12(2)19-20(13(11)3)15-5-4-8-16(9-15,10-17)18-14-6-7-14/h14-15,18H,4-9H2,1-3H3.
What are the key properties of 1-(cyclopropylamino)-3-(3,4,5-trimethylpyrazol-1-yl)cyclohexane-1-carbonitrile?
1-(cyclopropylamino)-3-(3,4,5-trimethylpyrazol-1-yl)cyclohexane-1-carbonitrile has a molecular weight of 272.40 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(3,4,5-trimethylpyrazol-1-yl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 79625076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).