5-amino-1-[2-(methylamino)acetyl]pyrazole-4-carbonitrile

C7H9N5O — CID 110470453

IUPAC5-amino-1-[2-(methylamino)acetyl]pyrazole-4-carbonitrile
SMILESCNCC(=O)n1ncc(C#N)c1N
InChIInChI=1S/C7H9N5O/c1-10-4-6(13)12-7(9)5(2-8)3-11-12/h3,10H,4,9H2,1H3
InChIKeySOQYHFMVRIBIDM-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.80
Rot. Bonds2

About 5-amino-1-[2-(methylamino)acetyl]pyrazole-4-carbonitrile

5-amino-1-[2-(methylamino)acetyl]pyrazole-4-carbonitrile (PubChem CID 110470453) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is 5-amino-1-[2-(methylamino)acetyl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-[2-(methylamino)acetyl]pyrazole-4-carbonitrile
PubChem CID110470453
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name5-amino-1-[2-(methylamino)acetyl]pyrazole-4-carbonitrile
SMILESCNCC(=O)n1ncc(C#N)c1N
InChIInChI=1S/C7H9N5O/c1-10-4-6(13)12-7(9)5(2-8)3-11-12/h3,10H,4,9H2,1H3
InChIKeySOQYHFMVRIBIDM-UHFFFAOYSA-N
XLogP-0.80
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(methylamino)acetyl]pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-[2-(methylamino)acetyl]pyrazole-4-carbonitrile (CID 110470453) is 5-amino-1-[2-(methylamino)acetyl]pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-[2-(methylamino)acetyl]pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-[2-(methylamino)acetyl]pyrazole-4-carbonitrile is CNCC(=O)n1ncc(C#N)c1N.
What is the InChIKey of 5-amino-1-[2-(methylamino)acetyl]pyrazole-4-carbonitrile?
The InChIKey is SOQYHFMVRIBIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c1-10-4-6(13)12-7(9)5(2-8)3-11-12/h3,10H,4,9H2,1H3.
What are the key properties of 5-amino-1-[2-(methylamino)acetyl]pyrazole-4-carbonitrile?
5-amino-1-[2-(methylamino)acetyl]pyrazole-4-carbonitrile has a molecular weight of 179.18 g/mol, XLogP of -0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(methylamino)acetyl]pyrazole-4-carbonitrile is sourced from PubChem (CID 110470453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).