3-ethyl-1-methylindazole-5-carboxamide

C11H13N3O — CID 171772893

IUPAC3-ethyl-1-methylindazole-5-carboxamide
SMILESCCc1nn(C)c2ccc(C(N)=O)cc12
InChIInChI=1S/C11H13N3O/c1-3-9-8-6-7(11(12)15)4-5-10(8)14(2)13-9/h4-6H,3H2,1-2H3,(H2,12,15)
InChIKeyQDNTTXLPFBUFMC-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.23
Rot. Bonds2

About 3-ethyl-1-methylindazole-5-carboxamide

3-ethyl-1-methylindazole-5-carboxamide (PubChem CID 171772893) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-ethyl-1-methylindazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-1-methylindazole-5-carboxamide
PubChem CID171772893
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name3-ethyl-1-methylindazole-5-carboxamide
SMILESCCc1nn(C)c2ccc(C(N)=O)cc12
InChIInChI=1S/C11H13N3O/c1-3-9-8-6-7(11(12)15)4-5-10(8)14(2)13-9/h4-6H,3H2,1-2H3,(H2,12,15)
InChIKeyQDNTTXLPFBUFMC-UHFFFAOYSA-N
XLogP1.23
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methylindazole-5-carboxamide?
The IUPAC name of 3-ethyl-1-methylindazole-5-carboxamide (CID 171772893) is 3-ethyl-1-methylindazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-1-methylindazole-5-carboxamide?
The canonical SMILES for 3-ethyl-1-methylindazole-5-carboxamide is CCc1nn(C)c2ccc(C(N)=O)cc12.
What is the InChIKey of 3-ethyl-1-methylindazole-5-carboxamide?
The InChIKey is QDNTTXLPFBUFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-3-9-8-6-7(11(12)15)4-5-10(8)14(2)13-9/h4-6H,3H2,1-2H3,(H2,12,15).
What are the key properties of 3-ethyl-1-methylindazole-5-carboxamide?
3-ethyl-1-methylindazole-5-carboxamide has a molecular weight of 203.24 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methylindazole-5-carboxamide is sourced from PubChem (CID 171772893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).