3-ethyl-1-propan-2-ylindazole

C12H16N2 — CID 129252229

IUPAC3-ethyl-1-propan-2-ylindazole
SMILESCCc1nn(C(C)C)c2ccccc12
InChIInChI=1S/C12H16N2/c1-4-11-10-7-5-6-8-12(10)14(13-11)9(2)3/h5-9H,4H2,1-3H3
InChIKeyYGAMYXLPMZDIJP-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.18
Rot. Bonds2

About 3-ethyl-1-propan-2-ylindazole

3-ethyl-1-propan-2-ylindazole (PubChem CID 129252229) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-ethyl-1-propan-2-ylindazole.

Molecular Properties

Compound Name3-ethyl-1-propan-2-ylindazole
PubChem CID129252229
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name3-ethyl-1-propan-2-ylindazole
SMILESCCc1nn(C(C)C)c2ccccc12
InChIInChI=1S/C12H16N2/c1-4-11-10-7-5-6-8-12(10)14(13-11)9(2)3/h5-9H,4H2,1-3H3
InChIKeyYGAMYXLPMZDIJP-UHFFFAOYSA-N
XLogP3.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-propan-2-ylindazole?
The IUPAC name of 3-ethyl-1-propan-2-ylindazole (CID 129252229) is 3-ethyl-1-propan-2-ylindazole.
What is the SMILES notation for 3-ethyl-1-propan-2-ylindazole?
The canonical SMILES for 3-ethyl-1-propan-2-ylindazole is CCc1nn(C(C)C)c2ccccc12.
What is the InChIKey of 3-ethyl-1-propan-2-ylindazole?
The InChIKey is YGAMYXLPMZDIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-4-11-10-7-5-6-8-12(10)14(13-11)9(2)3/h5-9H,4H2,1-3H3.
What are the key properties of 3-ethyl-1-propan-2-ylindazole?
3-ethyl-1-propan-2-ylindazole has a molecular weight of 188.27 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-propan-2-ylindazole is sourced from PubChem (CID 129252229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).