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

C10H17N5 — CID 63757321

IUPAC5-[2-(dimethylamino)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(NCCN(C)C)c1C#N
InChIInChI=1S/C10H17N5/c1-8-9(7-11)10(15(4)13-8)12-5-6-14(2)3/h12H,5-6H2,1-4H3
InChIKeyMSIIULGTZLLWPC-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.57
Rot. Bonds4

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

5-[2-(dimethylamino)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile (PubChem CID 63757321) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile
PubChem CID63757321
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name5-[2-(dimethylamino)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(NCCN(C)C)c1C#N
InChIInChI=1S/C10H17N5/c1-8-9(7-11)10(15(4)13-8)12-5-6-14(2)3/h12H,5-6H2,1-4H3
InChIKeyMSIIULGTZLLWPC-UHFFFAOYSA-N
XLogP0.57
TPSA56.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(dimethylamino)butylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63758377
1,3-dimethyl-5-[2-(methylamino)ethylamino]pyrazole-4-carbonitrile
CID 63758903
5-(ethylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63757322
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
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-[(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
5-[2-(cyclopenten-1-yl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 114153886

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile?
The IUPAC name of 5-[2-(dimethylamino)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile (CID 63757321) is 5-[2-(dimethylamino)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-[2-(dimethylamino)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile?
The canonical SMILES for 5-[2-(dimethylamino)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile is Cc1nn(C)c(NCCN(C)C)c1C#N.
What is the InChIKey of 5-[2-(dimethylamino)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile?
The InChIKey is MSIIULGTZLLWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c1-8-9(7-11)10(15(4)13-8)12-5-6-14(2)3/h12H,5-6H2,1-4H3.
What are the key properties of 5-[2-(dimethylamino)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile?
5-[2-(dimethylamino)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile has a molecular weight of 207.28 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile is sourced from PubChem (CID 63757321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).