3-methyl-4-phenyl-2,4-dihydroindeno[1,2-c]pyrazole

C17H14N2 — CID 4616940

IUPAC3-methyl-4-phenyl-2,4-dihydroindeno[1,2-c]pyrazole
SMILESCc1[nH]nc2c1C(c1ccccc1)c1ccccc1-2
InChIInChI=1S/C17H14N2/c1-11-15-16(12-7-3-2-4-8-12)13-9-5-6-10-14(13)17(15)19-18-11/h2-10,16H,1H3,(H,18,19)
InChIKeyPXEGVECYYOGCHJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.88
Rot. Bonds1

About 3-methyl-4-phenyl-2,4-dihydroindeno[1,2-c]pyrazole

3-methyl-4-phenyl-2,4-dihydroindeno[1,2-c]pyrazole (PubChem CID 4616940) has the molecular formula C17H14N2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-methyl-4-phenyl-2,4-dihydroindeno[1,2-c]pyrazole.

Molecular Properties

Compound Name3-methyl-4-phenyl-2,4-dihydroindeno[1,2-c]pyrazole
PubChem CID4616940
Molecular FormulaC17H14N2
Molecular Weight246.31 g/mol
Exact Mass246.12
IUPAC Name3-methyl-4-phenyl-2,4-dihydroindeno[1,2-c]pyrazole
SMILESCc1[nH]nc2c1C(c1ccccc1)c1ccccc1-2
InChIInChI=1S/C17H14N2/c1-11-15-16(12-7-3-2-4-8-12)13-9-5-6-10-14(13)17(15)19-18-11/h2-10,16H,1H3,(H,18,19)
InChIKeyPXEGVECYYOGCHJ-UHFFFAOYSA-N
XLogP3.88
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-phenyl-2,4-dihydroindeno[1,2-c]pyrazole?
The IUPAC name of 3-methyl-4-phenyl-2,4-dihydroindeno[1,2-c]pyrazole (CID 4616940) is 3-methyl-4-phenyl-2,4-dihydroindeno[1,2-c]pyrazole.
What is the SMILES notation for 3-methyl-4-phenyl-2,4-dihydroindeno[1,2-c]pyrazole?
The canonical SMILES for 3-methyl-4-phenyl-2,4-dihydroindeno[1,2-c]pyrazole is Cc1[nH]nc2c1C(c1ccccc1)c1ccccc1-2.
What is the InChIKey of 3-methyl-4-phenyl-2,4-dihydroindeno[1,2-c]pyrazole?
The InChIKey is PXEGVECYYOGCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2/c1-11-15-16(12-7-3-2-4-8-12)13-9-5-6-10-14(13)17(15)19-18-11/h2-10,16H,1H3,(H,18,19).
What are the key properties of 3-methyl-4-phenyl-2,4-dihydroindeno[1,2-c]pyrazole?
3-methyl-4-phenyl-2,4-dihydroindeno[1,2-c]pyrazole has a molecular weight of 246.31 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-phenyl-2,4-dihydroindeno[1,2-c]pyrazole is sourced from PubChem (CID 4616940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).