5-[2-(cyclopenten-1-yl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile

C13H18N4 — CID 114153886

IUPAC5-[2-(cyclopenten-1-yl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(NCCC2=CCCC2)c1C#N
InChIInChI=1S/C13H18N4/c1-10-12(9-14)13(17(2)16-10)15-8-7-11-5-3-4-6-11/h5,15H,3-4,6-8H2,1-2H3
InChIKeySQZOIQAPUXDFFW-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.51
Rot. Bonds4

About 5-[2-(cyclopenten-1-yl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile

5-[2-(cyclopenten-1-yl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile (PubChem CID 114153886) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-[2-(cyclopenten-1-yl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-[2-(cyclopenten-1-yl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile
PubChem CID114153886
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name5-[2-(cyclopenten-1-yl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(NCCC2=CCCC2)c1C#N
InChIInChI=1S/C13H18N4/c1-10-12(9-14)13(17(2)16-10)15-8-7-11-5-3-4-6-11/h5,15H,3-4,6-8H2,1-2H3
InChIKeySQZOIQAPUXDFFW-UHFFFAOYSA-N
XLogP2.51
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[2-(cyclopenten-1-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 103844191
1,3-dimethyl-5-[2-(3-methylphenyl)ethylamino]pyrazole-4-carbonitrile
CID 63756642
1,3-dimethyl-5-[2-(methylamino)ethylamino]pyrazole-4-carbonitrile
CID 63758903
5-(ethylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63757322
5-[2-(dimethylamino)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63757321
4-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]butanoic acid
CID 63756962
5-N-[2-(cyclopenten-1-yl)ethyl]-1-ethyl-3-methylpyrazole-4,5-diamine
CID 106166404
N-[2-(cyclopenten-1-yl)ethyl]-1-methyl-4-nitro-3-propylpyrazol-5-amine
CID 106177696
1,3-dimethyl-5-(2-methylsulfonylethylamino)pyrazole-4-carbonitrile
CID 63758017
5-(3-methoxypropylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63757669
5-[4-(dimethylamino)butylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63758377
2-[2-(cyclopenten-1-yl)ethylamino]-6-methylpyridine-4-carbonitrile
CID 106173577

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopenten-1-yl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile?
The IUPAC name of 5-[2-(cyclopenten-1-yl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile (CID 114153886) is 5-[2-(cyclopenten-1-yl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-[2-(cyclopenten-1-yl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile?
The canonical SMILES for 5-[2-(cyclopenten-1-yl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile is Cc1nn(C)c(NCCC2=CCCC2)c1C#N.
What is the InChIKey of 5-[2-(cyclopenten-1-yl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile?
The InChIKey is SQZOIQAPUXDFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-10-12(9-14)13(17(2)16-10)15-8-7-11-5-3-4-6-11/h5,15H,3-4,6-8H2,1-2H3.
What are the key properties of 5-[2-(cyclopenten-1-yl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile?
5-[2-(cyclopenten-1-yl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopenten-1-yl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile is sourced from PubChem (CID 114153886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).