5-amino-1-ethyl-3-(methylamino)pyrazole-4-carbonitrile

C7H11N5 — CID 102795991

IUPAC5-amino-1-ethyl-3-(methylamino)pyrazole-4-carbonitrile
SMILESCCn1nc(NC)c(C#N)c1N
InChIInChI=1S/C7H11N5/c1-3-12-6(9)5(4-8)7(10-2)11-12/h3,9H2,1-2H3,(H,10,11)
InChIKeyZJBOMPDEGRGTOG-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.40
Rot. Bonds2

About 5-amino-1-ethyl-3-(methylamino)pyrazole-4-carbonitrile

5-amino-1-ethyl-3-(methylamino)pyrazole-4-carbonitrile (PubChem CID 102795991) has the molecular formula C7H11N5 and a molecular weight of 165.20 g/mol. Its IUPAC name is 5-amino-1-ethyl-3-(methylamino)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-ethyl-3-(methylamino)pyrazole-4-carbonitrile
PubChem CID102795991
Molecular FormulaC7H11N5
Molecular Weight165.20 g/mol
Exact Mass165.10
IUPAC Name5-amino-1-ethyl-3-(methylamino)pyrazole-4-carbonitrile
SMILESCCn1nc(NC)c(C#N)c1N
InChIInChI=1S/C7H11N5/c1-3-12-6(9)5(4-8)7(10-2)11-12/h3,9H2,1-2H3,(H,10,11)
InChIKeyZJBOMPDEGRGTOG-UHFFFAOYSA-N
XLogP0.40
TPSA79.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-ethyl-3-(methylamino)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-ethyl-3-(methylamino)pyrazole-4-carbonitrile (CID 102795991) is 5-amino-1-ethyl-3-(methylamino)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-ethyl-3-(methylamino)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-ethyl-3-(methylamino)pyrazole-4-carbonitrile is CCn1nc(NC)c(C#N)c1N.
What is the InChIKey of 5-amino-1-ethyl-3-(methylamino)pyrazole-4-carbonitrile?
The InChIKey is ZJBOMPDEGRGTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5/c1-3-12-6(9)5(4-8)7(10-2)11-12/h3,9H2,1-2H3,(H,10,11).
What are the key properties of 5-amino-1-ethyl-3-(methylamino)pyrazole-4-carbonitrile?
5-amino-1-ethyl-3-(methylamino)pyrazole-4-carbonitrile has a molecular weight of 165.20 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-ethyl-3-(methylamino)pyrazole-4-carbonitrile is sourced from PubChem (CID 102795991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).