4-methyl-4-propan-2-yl-3H-indeno[1,2-d]pyrazole

C14H16N2 — CID 169145361

IUPAC4-methyl-4-propan-2-yl-3H-indeno[1,2-d]pyrazole
SMILESCC(C)C1(C)c2ccccc2-c2cn[nH]c21
InChIInChI=1S/C14H16N2/c1-9(2)14(3)12-7-5-4-6-10(12)11-8-15-16-13(11)14/h4-9H,1-3H3,(H,15,16)
InChIKeyPBJUSLOIBQMIOI-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.35
Rot. Bonds1

About 4-methyl-4-propan-2-yl-3H-indeno[1,2-d]pyrazole

4-methyl-4-propan-2-yl-3H-indeno[1,2-d]pyrazole (PubChem CID 169145361) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 4-methyl-4-propan-2-yl-3H-indeno[1,2-d]pyrazole.

Molecular Properties

Compound Name4-methyl-4-propan-2-yl-3H-indeno[1,2-d]pyrazole
PubChem CID169145361
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name4-methyl-4-propan-2-yl-3H-indeno[1,2-d]pyrazole
SMILESCC(C)C1(C)c2ccccc2-c2cn[nH]c21
InChIInChI=1S/C14H16N2/c1-9(2)14(3)12-7-5-4-6-10(12)11-8-15-16-13(11)14/h4-9H,1-3H3,(H,15,16)
InChIKeyPBJUSLOIBQMIOI-UHFFFAOYSA-N
XLogP3.35
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-propan-2-yl-3H-indeno[1,2-d]pyrazole?
The IUPAC name of 4-methyl-4-propan-2-yl-3H-indeno[1,2-d]pyrazole (CID 169145361) is 4-methyl-4-propan-2-yl-3H-indeno[1,2-d]pyrazole.
What is the SMILES notation for 4-methyl-4-propan-2-yl-3H-indeno[1,2-d]pyrazole?
The canonical SMILES for 4-methyl-4-propan-2-yl-3H-indeno[1,2-d]pyrazole is CC(C)C1(C)c2ccccc2-c2cn[nH]c21.
What is the InChIKey of 4-methyl-4-propan-2-yl-3H-indeno[1,2-d]pyrazole?
The InChIKey is PBJUSLOIBQMIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-9(2)14(3)12-7-5-4-6-10(12)11-8-15-16-13(11)14/h4-9H,1-3H3,(H,15,16).
What are the key properties of 4-methyl-4-propan-2-yl-3H-indeno[1,2-d]pyrazole?
4-methyl-4-propan-2-yl-3H-indeno[1,2-d]pyrazole has a molecular weight of 212.30 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-propan-2-yl-3H-indeno[1,2-d]pyrazole is sourced from PubChem (CID 169145361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).