1,3-dimethyl-N-oxo-5-prop-2-enylpyrazole-4-carboxamide

C9H11N3O2 — CID 143383450

IUPAC1,3-dimethyl-N-oxo-5-prop-2-enylpyrazole-4-carboxamide
SMILESC=CCc1c(C(=O)N=O)c(C)nn1C
InChIInChI=1S/C9H11N3O2/c1-4-5-7-8(9(13)11-14)6(2)10-12(7)3/h4H,1,5H2,2-3H3
InChIKeyFRXQDDRZTURRHH-UHFFFAOYSA-N
MW193.21 g/mol
LogP1.36
Rot. Bonds3

About 1,3-dimethyl-N-oxo-5-prop-2-enylpyrazole-4-carboxamide

1,3-dimethyl-N-oxo-5-prop-2-enylpyrazole-4-carboxamide (PubChem CID 143383450) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 1,3-dimethyl-N-oxo-5-prop-2-enylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-oxo-5-prop-2-enylpyrazole-4-carboxamide
PubChem CID143383450
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name1,3-dimethyl-N-oxo-5-prop-2-enylpyrazole-4-carboxamide
SMILESC=CCc1c(C(=O)N=O)c(C)nn1C
InChIInChI=1S/C9H11N3O2/c1-4-5-7-8(9(13)11-14)6(2)10-12(7)3/h4H,1,5H2,2-3H3
InChIKeyFRXQDDRZTURRHH-UHFFFAOYSA-N
XLogP1.36
TPSA64.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-oxo-5-prop-2-enylpyrazole-4-carboxamide?
The IUPAC name of 1,3-dimethyl-N-oxo-5-prop-2-enylpyrazole-4-carboxamide (CID 143383450) is 1,3-dimethyl-N-oxo-5-prop-2-enylpyrazole-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-oxo-5-prop-2-enylpyrazole-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-oxo-5-prop-2-enylpyrazole-4-carboxamide is C=CCc1c(C(=O)N=O)c(C)nn1C.
What is the InChIKey of 1,3-dimethyl-N-oxo-5-prop-2-enylpyrazole-4-carboxamide?
The InChIKey is FRXQDDRZTURRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-4-5-7-8(9(13)11-14)6(2)10-12(7)3/h4H,1,5H2,2-3H3.
What are the key properties of 1,3-dimethyl-N-oxo-5-prop-2-enylpyrazole-4-carboxamide?
1,3-dimethyl-N-oxo-5-prop-2-enylpyrazole-4-carboxamide has a molecular weight of 193.21 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-oxo-5-prop-2-enylpyrazole-4-carboxamide is sourced from PubChem (CID 143383450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).