1-ethyl-5-methoxypyrazole-4-carboxamide

C7H11N3O2 — CID 135349343

IUPAC1-ethyl-5-methoxypyrazole-4-carboxamide
SMILESCCn1ncc(C(N)=O)c1OC
InChIInChI=1S/C7H11N3O2/c1-3-10-7(12-2)5(4-9-10)6(8)11/h4H,3H2,1-2H3,(H2,8,11)
InChIKeyKKDIMKTWPIUAFL-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.01
Rot. Bonds3

About 1-ethyl-5-methoxypyrazole-4-carboxamide

1-ethyl-5-methoxypyrazole-4-carboxamide (PubChem CID 135349343) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 1-ethyl-5-methoxypyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-5-methoxypyrazole-4-carboxamide
PubChem CID135349343
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name1-ethyl-5-methoxypyrazole-4-carboxamide
SMILESCCn1ncc(C(N)=O)c1OC
InChIInChI=1S/C7H11N3O2/c1-3-10-7(12-2)5(4-9-10)6(8)11/h4H,3H2,1-2H3,(H2,8,11)
InChIKeyKKDIMKTWPIUAFL-UHFFFAOYSA-N
XLogP0.01
TPSA70.14 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 ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methoxypyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-5-methoxypyrazole-4-carboxamide (CID 135349343) is 1-ethyl-5-methoxypyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-5-methoxypyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-5-methoxypyrazole-4-carboxamide is CCn1ncc(C(N)=O)c1OC.
What is the InChIKey of 1-ethyl-5-methoxypyrazole-4-carboxamide?
The InChIKey is KKDIMKTWPIUAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-3-10-7(12-2)5(4-9-10)6(8)11/h4H,3H2,1-2H3,(H2,8,11).
What are the key properties of 1-ethyl-5-methoxypyrazole-4-carboxamide?
1-ethyl-5-methoxypyrazole-4-carboxamide has a molecular weight of 169.18 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methoxypyrazole-4-carboxamide is sourced from PubChem (CID 135349343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).