2,4-di(propan-2-yl)indazole

C13H18N2 — CID 166044650

IUPAC2,4-di(propan-2-yl)indazole
SMILESCC(C)c1cccc2nn(C(C)C)cc12
InChIInChI=1S/C13H18N2/c1-9(2)11-6-5-7-13-12(11)8-15(14-13)10(3)4/h5-10H,1-4H3
InChIKeyLNMSHBHTTCQGBR-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.74
Rot. Bonds2

About 2,4-di(propan-2-yl)indazole

2,4-di(propan-2-yl)indazole (PubChem CID 166044650) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2,4-di(propan-2-yl)indazole.

Molecular Properties

Compound Name2,4-di(propan-2-yl)indazole
PubChem CID166044650
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2,4-di(propan-2-yl)indazole
SMILESCC(C)c1cccc2nn(C(C)C)cc12
InChIInChI=1S/C13H18N2/c1-9(2)11-6-5-7-13-12(11)8-15(14-13)10(3)4/h5-10H,1-4H3
InChIKeyLNMSHBHTTCQGBR-UHFFFAOYSA-N
XLogP3.74
TPSA17.82 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 ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-di(propan-2-yl)indazole?
The IUPAC name of 2,4-di(propan-2-yl)indazole (CID 166044650) is 2,4-di(propan-2-yl)indazole.
What is the SMILES notation for 2,4-di(propan-2-yl)indazole?
The canonical SMILES for 2,4-di(propan-2-yl)indazole is CC(C)c1cccc2nn(C(C)C)cc12.
What is the InChIKey of 2,4-di(propan-2-yl)indazole?
The InChIKey is LNMSHBHTTCQGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-9(2)11-6-5-7-13-12(11)8-15(14-13)10(3)4/h5-10H,1-4H3.
What are the key properties of 2,4-di(propan-2-yl)indazole?
2,4-di(propan-2-yl)indazole has a molecular weight of 202.30 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(propan-2-yl)indazole is sourced from PubChem (CID 166044650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).