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

C15H24N4 — CID 79626046

IUPAC3-(3,5-dimethylpyrazol-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
SMILESCCCNC1(C#N)CCCC(n2nc(C)cc2C)C1
InChIInChI=1S/C15H24N4/c1-4-8-17-15(11-16)7-5-6-14(10-15)19-13(3)9-12(2)18-19/h9,14,17H,4-8,10H2,1-3H3
InChIKeyKJEOENVNGVKWJA-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.88
Rot. Bonds4

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

3-(3,5-dimethylpyrazol-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile (PubChem CID 79626046) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
PubChem CID79626046
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
SMILESCCCNC1(C#N)CCCC(n2nc(C)cc2C)C1
InChIInChI=1S/C15H24N4/c1-4-8-17-15(11-16)7-5-6-14(10-15)19-13(3)9-12(2)18-19/h9,14,17H,4-8,10H2,1-3H3
InChIKeyKJEOENVNGVKWJA-UHFFFAOYSA-N
XLogP2.88
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethylpyrazol-1-yl)-1-(methylamino)cyclohexane-1-carbonitrile
CID 79625900
3-(4-chloro-3-methylpyrazol-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79624947
3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79627197
3-(3,5-diethylpyrazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 82694843
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79624943
3-(3,4-dimethylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79625356
1-[3-cyano-3-(ethylamino)cyclohexyl]-1,2,4-triazole-3-carbonitrile
CID 79624945
3-(3-methylpiperidin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79625038
3-(4-bromopyrazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639796
3-(4-bromopyrazol-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79626047
[3-(3,5-dimethylpyrazol-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79641284
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(propylamino)cyclopentane-1-carbonitrile
CID 79649908

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile (CID 79626046) is 3-(3,5-dimethylpyrazol-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile is CCCNC1(C#N)CCCC(n2nc(C)cc2C)C1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile?
The InChIKey is KJEOENVNGVKWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-4-8-17-15(11-16)7-5-6-14(10-15)19-13(3)9-12(2)18-19/h9,14,17H,4-8,10H2,1-3H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile?
3-(3,5-dimethylpyrazol-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile has a molecular weight of 260.38 g/mol, XLogP of 2.88, 4 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-(propylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 79626046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).