1,6-dimethyl-5-propan-2-ylindazole

C12H16N2 — CID 58371579

IUPAC1,6-dimethyl-5-propan-2-ylindazole
SMILESCc1cc2c(cnn2C)cc1C(C)C
InChIInChI=1S/C12H16N2/c1-8(2)11-6-10-7-13-14(4)12(10)5-9(11)3/h5-8H,1-4H3
InChIKeyKCZDQQONWOBYSJ-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.01
Rot. Bonds1

About 1,6-dimethyl-5-propan-2-ylindazole

1,6-dimethyl-5-propan-2-ylindazole (PubChem CID 58371579) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1,6-dimethyl-5-propan-2-ylindazole.

Molecular Properties

Compound Name1,6-dimethyl-5-propan-2-ylindazole
PubChem CID58371579
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1,6-dimethyl-5-propan-2-ylindazole
SMILESCc1cc2c(cnn2C)cc1C(C)C
InChIInChI=1S/C12H16N2/c1-8(2)11-6-10-7-13-14(4)12(10)5-9(11)3/h5-8H,1-4H3
InChIKeyKCZDQQONWOBYSJ-UHFFFAOYSA-N
XLogP3.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-5-propan-2-ylindazole?
The IUPAC name of 1,6-dimethyl-5-propan-2-ylindazole (CID 58371579) is 1,6-dimethyl-5-propan-2-ylindazole.
What is the SMILES notation for 1,6-dimethyl-5-propan-2-ylindazole?
The canonical SMILES for 1,6-dimethyl-5-propan-2-ylindazole is Cc1cc2c(cnn2C)cc1C(C)C.
What is the InChIKey of 1,6-dimethyl-5-propan-2-ylindazole?
The InChIKey is KCZDQQONWOBYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-8(2)11-6-10-7-13-14(4)12(10)5-9(11)3/h5-8H,1-4H3.
What are the key properties of 1,6-dimethyl-5-propan-2-ylindazole?
1,6-dimethyl-5-propan-2-ylindazole has a molecular weight of 188.27 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-5-propan-2-ylindazole is sourced from PubChem (CID 58371579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).