N-ethoxy-1-methylpyrazole-4-carboxamide

C7H11N3O2 — CID 60717909

IUPACN-ethoxy-1-methylpyrazole-4-carboxamide
SMILESCCONC(=O)c1cnn(C)c1
InChIInChI=1S/C7H11N3O2/c1-3-12-9-7(11)6-4-8-10(2)5-6/h4-5H,3H2,1-2H3,(H,9,11)
InChIKeySJJMQNJGKAIJJX-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.10
Rot. Bonds3

About N-ethoxy-1-methylpyrazole-4-carboxamide

N-ethoxy-1-methylpyrazole-4-carboxamide (PubChem CID 60717909) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is N-ethoxy-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-ethoxy-1-methylpyrazole-4-carboxamide
PubChem CID60717909
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC NameN-ethoxy-1-methylpyrazole-4-carboxamide
SMILESCCONC(=O)c1cnn(C)c1
InChIInChI=1S/C7H11N3O2/c1-3-12-9-7(11)6-4-8-10(2)5-6/h4-5H,3H2,1-2H3,(H,9,11)
InChIKeySJJMQNJGKAIJJX-UHFFFAOYSA-N
XLogP0.10
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-ethoxy-1-methylpyrazole-4-carboxamide (CID 60717909) is N-ethoxy-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-ethoxy-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-ethoxy-1-methylpyrazole-4-carboxamide is CCONC(=O)c1cnn(C)c1.
What is the InChIKey of N-ethoxy-1-methylpyrazole-4-carboxamide?
The InChIKey is SJJMQNJGKAIJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-3-12-9-7(11)6-4-8-10(2)5-6/h4-5H,3H2,1-2H3,(H,9,11).
What are the key properties of N-ethoxy-1-methylpyrazole-4-carboxamide?
N-ethoxy-1-methylpyrazole-4-carboxamide has a molecular weight of 169.18 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 60717909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).