1-ethyl-N-methoxypyrazole-4-carboxamide

C7H11N3O2 — CID 131201140

IUPAC1-ethyl-N-methoxypyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NOC)cn1
InChIInChI=1S/C7H11N3O2/c1-3-10-5-6(4-8-10)7(11)9-12-2/h4-5H,3H2,1-2H3,(H,9,11)
InChIKeyCJMHOLWRGZPPGT-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.19
Rot. Bonds3

About 1-ethyl-N-methoxypyrazole-4-carboxamide

1-ethyl-N-methoxypyrazole-4-carboxamide (PubChem CID 131201140) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 1-ethyl-N-methoxypyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-methoxypyrazole-4-carboxamide
PubChem CID131201140
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name1-ethyl-N-methoxypyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NOC)cn1
InChIInChI=1S/C7H11N3O2/c1-3-10-5-6(4-8-10)7(11)9-12-2/h4-5H,3H2,1-2H3,(H,9,11)
InChIKeyCJMHOLWRGZPPGT-UHFFFAOYSA-N
XLogP0.19
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 ≤ 50.19
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 1-ethyl-N-methoxypyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-methoxypyrazole-4-carboxamide (CID 131201140) is 1-ethyl-N-methoxypyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-methoxypyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-methoxypyrazole-4-carboxamide is CCn1cc(C(=O)NOC)cn1.
What is the InChIKey of 1-ethyl-N-methoxypyrazole-4-carboxamide?
The InChIKey is CJMHOLWRGZPPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-3-10-5-6(4-8-10)7(11)9-12-2/h4-5H,3H2,1-2H3,(H,9,11).
What are the key properties of 1-ethyl-N-methoxypyrazole-4-carboxamide?
1-ethyl-N-methoxypyrazole-4-carboxamide has a molecular weight of 169.18 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-methoxypyrazole-4-carboxamide is sourced from PubChem (CID 131201140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).