3-methyl-2,5-diphenyl-3,4-dihydropyrazole

C16H16N2 — CID 15557190

IUPAC3-methyl-2,5-diphenyl-3,4-dihydropyrazole
SMILESCC1CC(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C16H16N2/c1-13-12-16(14-8-4-2-5-9-14)17-18(13)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3
InChIKeyJYAPQQUVUJCHDG-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.69
Rot. Bonds2

About 3-methyl-2,5-diphenyl-3,4-dihydropyrazole

3-methyl-2,5-diphenyl-3,4-dihydropyrazole (PubChem CID 15557190) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-methyl-2,5-diphenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name3-methyl-2,5-diphenyl-3,4-dihydropyrazole
PubChem CID15557190
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name3-methyl-2,5-diphenyl-3,4-dihydropyrazole
SMILESCC1CC(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C16H16N2/c1-13-12-16(14-8-4-2-5-9-14)17-18(13)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3
InChIKeyJYAPQQUVUJCHDG-UHFFFAOYSA-N
XLogP3.69
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,5-diphenyl-3,4-dihydropyrazole?
The IUPAC name of 3-methyl-2,5-diphenyl-3,4-dihydropyrazole (CID 15557190) is 3-methyl-2,5-diphenyl-3,4-dihydropyrazole.
What is the SMILES notation for 3-methyl-2,5-diphenyl-3,4-dihydropyrazole?
The canonical SMILES for 3-methyl-2,5-diphenyl-3,4-dihydropyrazole is CC1CC(c2ccccc2)=NN1c1ccccc1.
What is the InChIKey of 3-methyl-2,5-diphenyl-3,4-dihydropyrazole?
The InChIKey is JYAPQQUVUJCHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-13-12-16(14-8-4-2-5-9-14)17-18(13)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3.
What are the key properties of 3-methyl-2,5-diphenyl-3,4-dihydropyrazole?
3-methyl-2,5-diphenyl-3,4-dihydropyrazole has a molecular weight of 236.32 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,5-diphenyl-3,4-dihydropyrazole is sourced from PubChem (CID 15557190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).