1-ethyl-N-methoxy-5-methylpyrazole-3-carboxamide

C8H13N3O2 — CID 90975733

IUPAC1-ethyl-N-methoxy-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NOC)cc1C
InChIInChI=1S/C8H13N3O2/c1-4-11-6(2)5-7(9-11)8(12)10-13-3/h5H,4H2,1-3H3,(H,10,12)
InChIKeyVXJAIKWAAVPRNS-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.50
Rot. Bonds3

About 1-ethyl-N-methoxy-5-methylpyrazole-3-carboxamide

1-ethyl-N-methoxy-5-methylpyrazole-3-carboxamide (PubChem CID 90975733) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-ethyl-N-methoxy-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-methoxy-5-methylpyrazole-3-carboxamide
PubChem CID90975733
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name1-ethyl-N-methoxy-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NOC)cc1C
InChIInChI=1S/C8H13N3O2/c1-4-11-6(2)5-7(9-11)8(12)10-13-3/h5H,4H2,1-3H3,(H,10,12)
InChIKeyVXJAIKWAAVPRNS-UHFFFAOYSA-N
XLogP0.50
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.50
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-methoxy-5-methylpyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-methoxy-5-methylpyrazole-3-carboxamide (CID 90975733) is 1-ethyl-N-methoxy-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-methoxy-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-methoxy-5-methylpyrazole-3-carboxamide is CCn1nc(C(=O)NOC)cc1C.
What is the InChIKey of 1-ethyl-N-methoxy-5-methylpyrazole-3-carboxamide?
The InChIKey is VXJAIKWAAVPRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-4-11-6(2)5-7(9-11)8(12)10-13-3/h5H,4H2,1-3H3,(H,10,12).
What are the key properties of 1-ethyl-N-methoxy-5-methylpyrazole-3-carboxamide?
1-ethyl-N-methoxy-5-methylpyrazole-3-carboxamide has a molecular weight of 183.21 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-methoxy-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 90975733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).