3-(4-bromopyrazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile

C12H17BrN4 — CID 79639796

IUPAC3-(4-bromopyrazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
SMILESCCCNC1(C#N)CCC(n2cc(Br)cn2)C1
InChIInChI=1S/C12H17BrN4/c1-2-5-15-12(9-14)4-3-11(6-12)17-8-10(13)7-16-17/h7-8,11,15H,2-6H2,1H3
InChIKeyXZICONJIMUQOOE-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.63
Rot. Bonds4

About 3-(4-bromopyrazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile

3-(4-bromopyrazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile (PubChem CID 79639796) has the molecular formula C12H17BrN4 and a molecular weight of 297.20 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
PubChem CID79639796
Molecular FormulaC12H17BrN4
Molecular Weight297.20 g/mol
Exact Mass296.06
IUPAC Name3-(4-bromopyrazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
SMILESCCCNC1(C#N)CCC(n2cc(Br)cn2)C1
InChIInChI=1S/C12H17BrN4/c1-2-5-15-12(9-14)4-3-11(6-12)17-8-10(13)7-16-17/h7-8,11,15H,2-6H2,1H3
InChIKeyXZICONJIMUQOOE-UHFFFAOYSA-N
XLogP2.63
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-bromopyrazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-bromopyrazol-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79626047
methyl 3-(4-bromopyrazol-1-yl)-1-(propylamino)cyclopentane-1-carboxylate
CID 79651817
[3-(4-bromopyrazol-1-yl)-1-(propylamino)cyclohexyl]methanol
CID 79641286
1-(propylamino)-3-(2-propylimidazol-1-yl)cyclopentane-1-carbonitrile
CID 79638335
3-(3,5-diethylpyrazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 82694843
3-(4-chloro-3-methylpyrazol-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79624947
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-(3,5-dimethylpyrazol-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79626046
3-methyl-1-(propylamino)cyclopentane-1-carbonitrile
CID 64500336
3-(4-butan-2-ylpiperazin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639447

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 3-(4-bromopyrazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile (CID 79639796) is 3-(4-bromopyrazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile is CCCNC1(C#N)CCC(n2cc(Br)cn2)C1.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile?
The InChIKey is XZICONJIMUQOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4/c1-2-5-15-12(9-14)4-3-11(6-12)17-8-10(13)7-16-17/h7-8,11,15H,2-6H2,1H3.
What are the key properties of 3-(4-bromopyrazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile?
3-(4-bromopyrazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile has a molecular weight of 297.20 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopyrazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79639796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).