3,7-di(propan-2-yl)-7H-indazole

C13H18N2 — CID 58110867

IUPAC3,7-di(propan-2-yl)-7H-indazole
SMILESCC(C)C1=NN=C2C1=CC=CC2C(C)C
InChIInChI=1S/C13H18N2/c1-8(2)10-6-5-7-11-12(9(3)4)14-15-13(10)11/h5-10H,1-4H3
InChIKeyKOVYSYJXSUESQJ-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.22
Rot. Bonds2

About 3,7-di(propan-2-yl)-7H-indazole

3,7-di(propan-2-yl)-7H-indazole (PubChem CID 58110867) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3,7-di(propan-2-yl)-7H-indazole.

Molecular Properties

Compound Name3,7-di(propan-2-yl)-7H-indazole
PubChem CID58110867
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name3,7-di(propan-2-yl)-7H-indazole
SMILESCC(C)C1=NN=C2C1=CC=CC2C(C)C
InChIInChI=1S/C13H18N2/c1-8(2)10-6-5-7-11-12(9(3)4)14-15-13(10)11/h5-10H,1-4H3
InChIKeyKOVYSYJXSUESQJ-UHFFFAOYSA-N
XLogP3.22
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,7-di(propan-2-yl)-7H-indazole?
The IUPAC name of 3,7-di(propan-2-yl)-7H-indazole (CID 58110867) is 3,7-di(propan-2-yl)-7H-indazole.
What is the SMILES notation for 3,7-di(propan-2-yl)-7H-indazole?
The canonical SMILES for 3,7-di(propan-2-yl)-7H-indazole is CC(C)C1=NN=C2C1=CC=CC2C(C)C.
What is the InChIKey of 3,7-di(propan-2-yl)-7H-indazole?
The InChIKey is KOVYSYJXSUESQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-8(2)10-6-5-7-11-12(9(3)4)14-15-13(10)11/h5-10H,1-4H3.
What are the key properties of 3,7-di(propan-2-yl)-7H-indazole?
3,7-di(propan-2-yl)-7H-indazole has a molecular weight of 202.30 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-di(propan-2-yl)-7H-indazole is sourced from PubChem (CID 58110867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).