2-ethyl-N,4,5-trimethylpyrazole-3-carboxamide

C9H15N3O — CID 154451968

IUPAC2-ethyl-N,4,5-trimethylpyrazole-3-carboxamide
SMILESCCn1nc(C)c(C)c1C(=O)NC
InChIInChI=1S/C9H15N3O/c1-5-12-8(9(13)10-4)6(2)7(3)11-12/h5H2,1-4H3,(H,10,13)
InChIKeyQNYHVGPFDNQPSA-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.88
Rot. Bonds2

About 2-ethyl-N,4,5-trimethylpyrazole-3-carboxamide

2-ethyl-N,4,5-trimethylpyrazole-3-carboxamide (PubChem CID 154451968) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-ethyl-N,4,5-trimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N,4,5-trimethylpyrazole-3-carboxamide
PubChem CID154451968
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-ethyl-N,4,5-trimethylpyrazole-3-carboxamide
SMILESCCn1nc(C)c(C)c1C(=O)NC
InChIInChI=1S/C9H15N3O/c1-5-12-8(9(13)10-4)6(2)7(3)11-12/h5H2,1-4H3,(H,10,13)
InChIKeyQNYHVGPFDNQPSA-UHFFFAOYSA-N
XLogP0.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,4,5-trimethylpyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-N,4,5-trimethylpyrazole-3-carboxamide (CID 154451968) is 2-ethyl-N,4,5-trimethylpyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N,4,5-trimethylpyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N,4,5-trimethylpyrazole-3-carboxamide is CCn1nc(C)c(C)c1C(=O)NC.
What is the InChIKey of 2-ethyl-N,4,5-trimethylpyrazole-3-carboxamide?
The InChIKey is QNYHVGPFDNQPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-5-12-8(9(13)10-4)6(2)7(3)11-12/h5H2,1-4H3,(H,10,13).
What are the key properties of 2-ethyl-N,4,5-trimethylpyrazole-3-carboxamide?
2-ethyl-N,4,5-trimethylpyrazole-3-carboxamide has a molecular weight of 181.24 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,4,5-trimethylpyrazole-3-carboxamide is sourced from PubChem (CID 154451968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).