1,3-dimethyl-5-[2-(methylamino)ethylamino]pyrazole-4-carbonitrile

C9H15N5 — CID 63758903

IUPAC1,3-dimethyl-5-[2-(methylamino)ethylamino]pyrazole-4-carbonitrile
SMILESCNCCNc1c(C#N)c(C)nn1C
InChIInChI=1S/C9H15N5/c1-7-8(6-10)9(14(3)13-7)12-5-4-11-2/h11-12H,4-5H2,1-3H3
InChIKeySDOVIKAWCLPKJJ-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.23
Rot. Bonds4

About 1,3-dimethyl-5-[2-(methylamino)ethylamino]pyrazole-4-carbonitrile

1,3-dimethyl-5-[2-(methylamino)ethylamino]pyrazole-4-carbonitrile (PubChem CID 63758903) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1,3-dimethyl-5-[2-(methylamino)ethylamino]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-5-[2-(methylamino)ethylamino]pyrazole-4-carbonitrile
PubChem CID63758903
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name1,3-dimethyl-5-[2-(methylamino)ethylamino]pyrazole-4-carbonitrile
SMILESCNCCNc1c(C#N)c(C)nn1C
InChIInChI=1S/C9H15N5/c1-7-8(6-10)9(14(3)13-7)12-5-4-11-2/h11-12H,4-5H2,1-3H3
InChIKeySDOVIKAWCLPKJJ-UHFFFAOYSA-N
XLogP0.23
TPSA65.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(ethylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63757322
5-[2-(dimethylamino)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63757321
5-(4-hydroxybutylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 106842244
1,3-dimethyl-5-(2-methylsulfonylethylamino)pyrazole-4-carbonitrile
CID 63758017
3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]propanoic acid
CID 63756960
5-(3-methoxypropylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63757669
5-[4-(dimethylamino)butylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63758377
4-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]butanoic acid
CID 63756962
2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]acetic acid
CID 63758168
5-[2-(4-aminophenoxy)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63757521
5-[(3-hydroxy-4-methoxybutyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
CID 106245870
3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-propylpropanamide
CID 55243652

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[2-(methylamino)ethylamino]pyrazole-4-carbonitrile?
The IUPAC name of 1,3-dimethyl-5-[2-(methylamino)ethylamino]pyrazole-4-carbonitrile (CID 63758903) is 1,3-dimethyl-5-[2-(methylamino)ethylamino]pyrazole-4-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-5-[2-(methylamino)ethylamino]pyrazole-4-carbonitrile?
The canonical SMILES for 1,3-dimethyl-5-[2-(methylamino)ethylamino]pyrazole-4-carbonitrile is CNCCNc1c(C#N)c(C)nn1C.
What is the InChIKey of 1,3-dimethyl-5-[2-(methylamino)ethylamino]pyrazole-4-carbonitrile?
The InChIKey is SDOVIKAWCLPKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c1-7-8(6-10)9(14(3)13-7)12-5-4-11-2/h11-12H,4-5H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-[2-(methylamino)ethylamino]pyrazole-4-carbonitrile?
1,3-dimethyl-5-[2-(methylamino)ethylamino]pyrazole-4-carbonitrile has a molecular weight of 193.25 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[2-(methylamino)ethylamino]pyrazole-4-carbonitrile is sourced from PubChem (CID 63758903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).