1-ethyl-N,5-dimethylpyrazole-3-carboxamide

C8H13N3O — CID 58497357

IUPAC1-ethyl-N,5-dimethylpyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NC)cc1C
InChIInChI=1S/C8H13N3O/c1-4-11-6(2)5-7(10-11)8(12)9-3/h5H,4H2,1-3H3,(H,9,12)
InChIKeyGEFLZMWCPJFMHW-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.57
Rot. Bonds2

About 1-ethyl-N,5-dimethylpyrazole-3-carboxamide

1-ethyl-N,5-dimethylpyrazole-3-carboxamide (PubChem CID 58497357) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-ethyl-N,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N,5-dimethylpyrazole-3-carboxamide
PubChem CID58497357
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-ethyl-N,5-dimethylpyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NC)cc1C
InChIInChI=1S/C8H13N3O/c1-4-11-6(2)5-7(10-11)8(12)9-3/h5H,4H2,1-3H3,(H,9,12)
InChIKeyGEFLZMWCPJFMHW-UHFFFAOYSA-N
XLogP0.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N,5-dimethylpyrazole-3-carboxamide (CID 58497357) is 1-ethyl-N,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N,5-dimethylpyrazole-3-carboxamide is CCn1nc(C(=O)NC)cc1C.
What is the InChIKey of 1-ethyl-N,5-dimethylpyrazole-3-carboxamide?
The InChIKey is GEFLZMWCPJFMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-4-11-6(2)5-7(10-11)8(12)9-3/h5H,4H2,1-3H3,(H,9,12).
What are the key properties of 1-ethyl-N,5-dimethylpyrazole-3-carboxamide?
1-ethyl-N,5-dimethylpyrazole-3-carboxamide has a molecular weight of 167.21 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 58497357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).