3-tert-butyl-2,4-dihydroindeno[1,2-c]pyrazole

C14H16N2 — CID 12761337

IUPAC3-tert-butyl-2,4-dihydroindeno[1,2-c]pyrazole
SMILESCC(C)(C)c1[nH]nc2c1Cc1ccccc1-2
InChIInChI=1S/C14H16N2/c1-14(2,3)13-11-8-9-6-4-5-7-10(9)12(11)15-16-13/h4-7H,8H2,1-3H3,(H,15,16)
InChIKeyRBJVACOPSCOHFG-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.28
Rot. Bonds

About 3-tert-butyl-2,4-dihydroindeno[1,2-c]pyrazole

3-tert-butyl-2,4-dihydroindeno[1,2-c]pyrazole (PubChem CID 12761337) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 3-tert-butyl-2,4-dihydroindeno[1,2-c]pyrazole.

Molecular Properties

Compound Name3-tert-butyl-2,4-dihydroindeno[1,2-c]pyrazole
PubChem CID12761337
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name3-tert-butyl-2,4-dihydroindeno[1,2-c]pyrazole
SMILESCC(C)(C)c1[nH]nc2c1Cc1ccccc1-2
InChIInChI=1S/C14H16N2/c1-14(2,3)13-11-8-9-6-4-5-7-10(9)12(11)15-16-13/h4-7H,8H2,1-3H3,(H,15,16)
InChIKeyRBJVACOPSCOHFG-UHFFFAOYSA-N
XLogP3.28
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2,4-dihydroindeno[1,2-c]pyrazole?
The IUPAC name of 3-tert-butyl-2,4-dihydroindeno[1,2-c]pyrazole (CID 12761337) is 3-tert-butyl-2,4-dihydroindeno[1,2-c]pyrazole.
What is the SMILES notation for 3-tert-butyl-2,4-dihydroindeno[1,2-c]pyrazole?
The canonical SMILES for 3-tert-butyl-2,4-dihydroindeno[1,2-c]pyrazole is CC(C)(C)c1[nH]nc2c1Cc1ccccc1-2.
What is the InChIKey of 3-tert-butyl-2,4-dihydroindeno[1,2-c]pyrazole?
The InChIKey is RBJVACOPSCOHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-14(2,3)13-11-8-9-6-4-5-7-10(9)12(11)15-16-13/h4-7H,8H2,1-3H3,(H,15,16).
What are the key properties of 3-tert-butyl-2,4-dihydroindeno[1,2-c]pyrazole?
3-tert-butyl-2,4-dihydroindeno[1,2-c]pyrazole has a molecular weight of 212.30 g/mol, XLogP of 3.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2,4-dihydroindeno[1,2-c]pyrazole is sourced from PubChem (CID 12761337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).