6-methyl-4,5-di(propan-2-yl)-1H-indazole

C14H20N2 — CID 171650760

IUPAC6-methyl-4,5-di(propan-2-yl)-1H-indazole
SMILESCc1cc2[nH]ncc2c(C(C)C)c1C(C)C
InChIInChI=1S/C14H20N2/c1-8(2)13-10(5)6-12-11(7-15-16-12)14(13)9(3)4/h6-9H,1-5H3,(H,15,16)
InChIKeyFRFIXADJNBVIMG-UHFFFAOYSA-N
MW216.33 g/mol
LogP4.12
Rot. Bonds2

About 6-methyl-4,5-di(propan-2-yl)-1H-indazole

6-methyl-4,5-di(propan-2-yl)-1H-indazole (PubChem CID 171650760) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 6-methyl-4,5-di(propan-2-yl)-1H-indazole.

Molecular Properties

Compound Name6-methyl-4,5-di(propan-2-yl)-1H-indazole
PubChem CID171650760
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name6-methyl-4,5-di(propan-2-yl)-1H-indazole
SMILESCc1cc2[nH]ncc2c(C(C)C)c1C(C)C
InChIInChI=1S/C14H20N2/c1-8(2)13-10(5)6-12-11(7-15-16-12)14(13)9(3)4/h6-9H,1-5H3,(H,15,16)
InChIKeyFRFIXADJNBVIMG-UHFFFAOYSA-N
XLogP4.12
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4,5-di(propan-2-yl)-1H-indazole?
The IUPAC name of 6-methyl-4,5-di(propan-2-yl)-1H-indazole (CID 171650760) is 6-methyl-4,5-di(propan-2-yl)-1H-indazole.
What is the SMILES notation for 6-methyl-4,5-di(propan-2-yl)-1H-indazole?
The canonical SMILES for 6-methyl-4,5-di(propan-2-yl)-1H-indazole is Cc1cc2[nH]ncc2c(C(C)C)c1C(C)C.
What is the InChIKey of 6-methyl-4,5-di(propan-2-yl)-1H-indazole?
The InChIKey is FRFIXADJNBVIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-8(2)13-10(5)6-12-11(7-15-16-12)14(13)9(3)4/h6-9H,1-5H3,(H,15,16).
What are the key properties of 6-methyl-4,5-di(propan-2-yl)-1H-indazole?
6-methyl-4,5-di(propan-2-yl)-1H-indazole has a molecular weight of 216.33 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4,5-di(propan-2-yl)-1H-indazole is sourced from PubChem (CID 171650760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).