7-ethyl-2-methylindazole-3-carbonitrile

C11H11N3 — CID 174309536

IUPAC7-ethyl-2-methylindazole-3-carbonitrile
SMILESCCc1cccc2c(C#N)n(C)nc12
InChIInChI=1S/C11H11N3/c1-3-8-5-4-6-9-10(7-12)14(2)13-11(8)9/h4-6H,3H2,1-2H3
InChIKeyAYXAUBKMCYSLKA-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.01
Rot. Bonds1

About 7-ethyl-2-methylindazole-3-carbonitrile

7-ethyl-2-methylindazole-3-carbonitrile (PubChem CID 174309536) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 7-ethyl-2-methylindazole-3-carbonitrile.

Molecular Properties

Compound Name7-ethyl-2-methylindazole-3-carbonitrile
PubChem CID174309536
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name7-ethyl-2-methylindazole-3-carbonitrile
SMILESCCc1cccc2c(C#N)n(C)nc12
InChIInChI=1S/C11H11N3/c1-3-8-5-4-6-9-10(7-12)14(2)13-11(8)9/h4-6H,3H2,1-2H3
InChIKeyAYXAUBKMCYSLKA-UHFFFAOYSA-N
XLogP2.01
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-methylindazole-3-carbonitrile?
The IUPAC name of 7-ethyl-2-methylindazole-3-carbonitrile (CID 174309536) is 7-ethyl-2-methylindazole-3-carbonitrile.
What is the SMILES notation for 7-ethyl-2-methylindazole-3-carbonitrile?
The canonical SMILES for 7-ethyl-2-methylindazole-3-carbonitrile is CCc1cccc2c(C#N)n(C)nc12.
What is the InChIKey of 7-ethyl-2-methylindazole-3-carbonitrile?
The InChIKey is AYXAUBKMCYSLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-3-8-5-4-6-9-10(7-12)14(2)13-11(8)9/h4-6H,3H2,1-2H3.
What are the key properties of 7-ethyl-2-methylindazole-3-carbonitrile?
7-ethyl-2-methylindazole-3-carbonitrile has a molecular weight of 185.23 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-methylindazole-3-carbonitrile is sourced from PubChem (CID 174309536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).