3-carbamoyl-N-methyl-1H-pyrazole-5-carboximidate

C6H7N4O2- — CID 144962441

IUPAC3-carbamoyl-N-methyl-1H-pyrazole-5-carboximidate
SMILESC/N=C(\[O-])c1cc(C(N)=O)n[nH]1
InChIInChI=1S/C6H8N4O2/c1-8-6(12)4-2-3(5(7)11)9-10-4/h2H,1H3,(H2,7,11)(H,8,12)(H,9,10)/p-1
InChIKeyIVOVZUAVDUDJDI-UHFFFAOYSA-M
MW167.15 g/mol
LogP-1.75
Rot. Bonds2

About 3-carbamoyl-N-methyl-1H-pyrazole-5-carboximidate

3-carbamoyl-N-methyl-1H-pyrazole-5-carboximidate (PubChem CID 144962441) has the molecular formula C6H7N4O2- and a molecular weight of 167.15 g/mol. Its IUPAC name is 3-carbamoyl-N-methyl-1H-pyrazole-5-carboximidate.

Molecular Properties

Compound Name3-carbamoyl-N-methyl-1H-pyrazole-5-carboximidate
PubChem CID144962441
Molecular FormulaC6H7N4O2-
Molecular Weight167.15 g/mol
Exact Mass167.06
IUPAC Name3-carbamoyl-N-methyl-1H-pyrazole-5-carboximidate
SMILESC/N=C(\[O-])c1cc(C(N)=O)n[nH]1
InChIInChI=1S/C6H8N4O2/c1-8-6(12)4-2-3(5(7)11)9-10-4/h2H,1H3,(H2,7,11)(H,8,12)(H,9,10)/p-1
InChIKeyIVOVZUAVDUDJDI-UHFFFAOYSA-M
XLogP-1.75
TPSA107.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.15
LogP ≤ 5-1.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-carbamoyl-N-methyl-1H-pyrazole-5-carboximidate?
The IUPAC name of 3-carbamoyl-N-methyl-1H-pyrazole-5-carboximidate (CID 144962441) is 3-carbamoyl-N-methyl-1H-pyrazole-5-carboximidate.
What is the SMILES notation for 3-carbamoyl-N-methyl-1H-pyrazole-5-carboximidate?
The canonical SMILES for 3-carbamoyl-N-methyl-1H-pyrazole-5-carboximidate is C/N=C(\[O-])c1cc(C(N)=O)n[nH]1.
What is the InChIKey of 3-carbamoyl-N-methyl-1H-pyrazole-5-carboximidate?
The InChIKey is IVOVZUAVDUDJDI-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8N4O2/c1-8-6(12)4-2-3(5(7)11)9-10-4/h2H,1H3,(H2,7,11)(H,8,12)(H,9,10)/p-1.
What are the key properties of 3-carbamoyl-N-methyl-1H-pyrazole-5-carboximidate?
3-carbamoyl-N-methyl-1H-pyrazole-5-carboximidate has a molecular weight of 167.15 g/mol, XLogP of -1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamoyl-N-methyl-1H-pyrazole-5-carboximidate is sourced from PubChem (CID 144962441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).