3-(3,5-diethylpyrazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile

C16H26N4 — CID 82694843

IUPAC3-(3,5-diethylpyrazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
SMILESCCCNC1(C#N)CCC(n2nc(CC)cc2CC)C1
InChIInChI=1S/C16H26N4/c1-4-9-18-16(12-17)8-7-15(11-16)20-14(6-3)10-13(5-2)19-20/h10,15,18H,4-9,11H2,1-3H3
InChIKeyFSRXGLVBHZGTQI-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.99
Rot. Bonds6

About 3-(3,5-diethylpyrazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile

3-(3,5-diethylpyrazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile (PubChem CID 82694843) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-(3,5-diethylpyrazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-(3,5-diethylpyrazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
PubChem CID82694843
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name3-(3,5-diethylpyrazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
SMILESCCCNC1(C#N)CCC(n2nc(CC)cc2CC)C1
InChIInChI=1S/C16H26N4/c1-4-9-18-16(12-17)8-7-15(11-16)20-14(6-3)10-13(5-2)19-20/h10,15,18H,4-9,11H2,1-3H3
InChIKeyFSRXGLVBHZGTQI-UHFFFAOYSA-N
XLogP2.99
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylamino)-3-(3,5-diethylpyrazol-1-yl)cyclohexane-1-carbonitrile
CID 82698987
3-(3,5-dimethylpyrazol-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79626046
3-(4-bromopyrazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639796
1-(propylamino)-3-(2-propylimidazol-1-yl)cyclopentane-1-carbonitrile
CID 79638335
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639960
3-(3,4-dimethoxypyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 103537832
3-(2-propan-2-ylimidazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 79638589
3-methyl-1-(propylamino)cyclopentane-1-carbonitrile
CID 64500336
3-(4-chloro-3-methylpyrazol-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79624947
3-(4-butan-2-ylpiperazin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639447
3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79627197
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-diethylpyrazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 3-(3,5-diethylpyrazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile (CID 82694843) is 3-(3,5-diethylpyrazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-(3,5-diethylpyrazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-(3,5-diethylpyrazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile is CCCNC1(C#N)CCC(n2nc(CC)cc2CC)C1.
What is the InChIKey of 3-(3,5-diethylpyrazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile?
The InChIKey is FSRXGLVBHZGTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-4-9-18-16(12-17)8-7-15(11-16)20-14(6-3)10-13(5-2)19-20/h10,15,18H,4-9,11H2,1-3H3.
What are the key properties of 3-(3,5-diethylpyrazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile?
3-(3,5-diethylpyrazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile has a molecular weight of 274.41 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-diethylpyrazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 82694843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).