3-ethyl-5-propyl-2H-indazole

C12H16N2 — CID 88974501

IUPAC3-ethyl-5-propyl-2H-indazole
SMILESCCCc1ccc2n[nH]c(CC)c2c1
InChIInChI=1S/C12H16N2/c1-3-5-9-6-7-12-10(8-9)11(4-2)13-14-12/h6-8H,3-5H2,1-2H3,(H,13,14)
InChIKeyDGWZRHHALJJNTG-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.08
Rot. Bonds3

About 3-ethyl-5-propyl-2H-indazole

3-ethyl-5-propyl-2H-indazole (PubChem CID 88974501) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-ethyl-5-propyl-2H-indazole.

Molecular Properties

Compound Name3-ethyl-5-propyl-2H-indazole
PubChem CID88974501
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name3-ethyl-5-propyl-2H-indazole
SMILESCCCc1ccc2n[nH]c(CC)c2c1
InChIInChI=1S/C12H16N2/c1-3-5-9-6-7-12-10(8-9)11(4-2)13-14-12/h6-8H,3-5H2,1-2H3,(H,13,14)
InChIKeyDGWZRHHALJJNTG-UHFFFAOYSA-N
XLogP3.08
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-propyl-2H-indazole?
The IUPAC name of 3-ethyl-5-propyl-2H-indazole (CID 88974501) is 3-ethyl-5-propyl-2H-indazole.
What is the SMILES notation for 3-ethyl-5-propyl-2H-indazole?
The canonical SMILES for 3-ethyl-5-propyl-2H-indazole is CCCc1ccc2n[nH]c(CC)c2c1.
What is the InChIKey of 3-ethyl-5-propyl-2H-indazole?
The InChIKey is DGWZRHHALJJNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-3-5-9-6-7-12-10(8-9)11(4-2)13-14-12/h6-8H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 3-ethyl-5-propyl-2H-indazole?
3-ethyl-5-propyl-2H-indazole has a molecular weight of 188.27 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-propyl-2H-indazole is sourced from PubChem (CID 88974501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).