4-N,5-N-dimethyl-1-prop-2-enylpyrazole-4,5-dicarboxamide

C10H14N4O2 — CID 3082188

IUPAC4-N,5-N-dimethyl-1-prop-2-enylpyrazole-4,5-dicarboxamide
SMILESC=CCn1ncc(C(=O)NC)c1C(=O)NC
InChIInChI=1S/C10H14N4O2/c1-4-5-14-8(10(16)12-3)7(6-13-14)9(15)11-2/h4,6H,1,5H2,2-3H3,(H,11,15)(H,12,16)
InChIKeyKQEFVFVNXVZUSC-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.21
Rot. Bonds4

About 4-N,5-N-dimethyl-1-prop-2-enylpyrazole-4,5-dicarboxamide

4-N,5-N-dimethyl-1-prop-2-enylpyrazole-4,5-dicarboxamide (PubChem CID 3082188) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 4-N,5-N-dimethyl-1-prop-2-enylpyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N,5-N-dimethyl-1-prop-2-enylpyrazole-4,5-dicarboxamide
PubChem CID3082188
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name4-N,5-N-dimethyl-1-prop-2-enylpyrazole-4,5-dicarboxamide
SMILESC=CCn1ncc(C(=O)NC)c1C(=O)NC
InChIInChI=1S/C10H14N4O2/c1-4-5-14-8(10(16)12-3)7(6-13-14)9(15)11-2/h4,6H,1,5H2,2-3H3,(H,11,15)(H,12,16)
InChIKeyKQEFVFVNXVZUSC-UHFFFAOYSA-N
XLogP-0.21
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
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 4-N,5-N-dimethyl-1-prop-2-enylpyrazole-4,5-dicarboxamide?
The IUPAC name of 4-N,5-N-dimethyl-1-prop-2-enylpyrazole-4,5-dicarboxamide (CID 3082188) is 4-N,5-N-dimethyl-1-prop-2-enylpyrazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N,5-N-dimethyl-1-prop-2-enylpyrazole-4,5-dicarboxamide?
The canonical SMILES for 4-N,5-N-dimethyl-1-prop-2-enylpyrazole-4,5-dicarboxamide is C=CCn1ncc(C(=O)NC)c1C(=O)NC.
What is the InChIKey of 4-N,5-N-dimethyl-1-prop-2-enylpyrazole-4,5-dicarboxamide?
The InChIKey is KQEFVFVNXVZUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-4-5-14-8(10(16)12-3)7(6-13-14)9(15)11-2/h4,6H,1,5H2,2-3H3,(H,11,15)(H,12,16).
What are the key properties of 4-N,5-N-dimethyl-1-prop-2-enylpyrazole-4,5-dicarboxamide?
4-N,5-N-dimethyl-1-prop-2-enylpyrazole-4,5-dicarboxamide has a molecular weight of 222.25 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-N-dimethyl-1-prop-2-enylpyrazole-4,5-dicarboxamide is sourced from PubChem (CID 3082188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).