3,4-dimethyl-1-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole

C17H22N2 — CID 118482895

IUPAC3,4-dimethyl-1-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole
SMILESCc1cn(-c2cccc3c2C(C)CC3(C)C)nc1C
InChIInChI=1S/C17H22N2/c1-11-9-17(4,5)14-7-6-8-15(16(11)14)19-10-12(2)13(3)18-19/h6-8,10-11H,9H2,1-5H3
InChIKeyHXUBFKZAEDRNDM-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.27
Rot. Bonds1

About 3,4-dimethyl-1-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole

3,4-dimethyl-1-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole (PubChem CID 118482895) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 3,4-dimethyl-1-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole.

Molecular Properties

Compound Name3,4-dimethyl-1-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole
PubChem CID118482895
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name3,4-dimethyl-1-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole
SMILESCc1cn(-c2cccc3c2C(C)CC3(C)C)nc1C
InChIInChI=1S/C17H22N2/c1-11-9-17(4,5)14-7-6-8-15(16(11)14)19-10-12(2)13(3)18-19/h6-8,10-11H,9H2,1-5H3
InChIKeyHXUBFKZAEDRNDM-UHFFFAOYSA-N
XLogP4.27
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole?
The IUPAC name of 3,4-dimethyl-1-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole (CID 118482895) is 3,4-dimethyl-1-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole.
What is the SMILES notation for 3,4-dimethyl-1-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole?
The canonical SMILES for 3,4-dimethyl-1-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole is Cc1cn(-c2cccc3c2C(C)CC3(C)C)nc1C.
What is the InChIKey of 3,4-dimethyl-1-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole?
The InChIKey is HXUBFKZAEDRNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-11-9-17(4,5)14-7-6-8-15(16(11)14)19-10-12(2)13(3)18-19/h6-8,10-11H,9H2,1-5H3.
What are the key properties of 3,4-dimethyl-1-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole?
3,4-dimethyl-1-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole has a molecular weight of 254.38 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole is sourced from PubChem (CID 118482895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).