5-amino-4-cyano-N,N-dimethylpyrazole-1-carboxamide

C7H9N5O — CID 110470348

IUPAC5-amino-4-cyano-N,N-dimethylpyrazole-1-carboxamide
SMILESCN(C)C(=O)n1ncc(C#N)c1N
InChIInChI=1S/C7H9N5O/c1-11(2)7(13)12-6(9)5(3-8)4-10-12/h4H,9H2,1-2H3
InChIKeySQMXLQDWKDMVMR-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.13
Rot. Bonds

About 5-amino-4-cyano-N,N-dimethylpyrazole-1-carboxamide

5-amino-4-cyano-N,N-dimethylpyrazole-1-carboxamide (PubChem CID 110470348) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is 5-amino-4-cyano-N,N-dimethylpyrazole-1-carboxamide.

Molecular Properties

Compound Name5-amino-4-cyano-N,N-dimethylpyrazole-1-carboxamide
PubChem CID110470348
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name5-amino-4-cyano-N,N-dimethylpyrazole-1-carboxamide
SMILESCN(C)C(=O)n1ncc(C#N)c1N
InChIInChI=1S/C7H9N5O/c1-11(2)7(13)12-6(9)5(3-8)4-10-12/h4H,9H2,1-2H3
InChIKeySQMXLQDWKDMVMR-UHFFFAOYSA-N
XLogP-0.13
TPSA87.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-cyano-N,N-dimethylpyrazole-1-carboxamide?
The IUPAC name of 5-amino-4-cyano-N,N-dimethylpyrazole-1-carboxamide (CID 110470348) is 5-amino-4-cyano-N,N-dimethylpyrazole-1-carboxamide.
What is the SMILES notation for 5-amino-4-cyano-N,N-dimethylpyrazole-1-carboxamide?
The canonical SMILES for 5-amino-4-cyano-N,N-dimethylpyrazole-1-carboxamide is CN(C)C(=O)n1ncc(C#N)c1N.
What is the InChIKey of 5-amino-4-cyano-N,N-dimethylpyrazole-1-carboxamide?
The InChIKey is SQMXLQDWKDMVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c1-11(2)7(13)12-6(9)5(3-8)4-10-12/h4H,9H2,1-2H3.
What are the key properties of 5-amino-4-cyano-N,N-dimethylpyrazole-1-carboxamide?
5-amino-4-cyano-N,N-dimethylpyrazole-1-carboxamide has a molecular weight of 179.18 g/mol, XLogP of -0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-cyano-N,N-dimethylpyrazole-1-carboxamide is sourced from PubChem (CID 110470348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).