1,5-dimethyl-3,4-diphenylpyrazole

C17H16N2 — CID 13146064

IUPAC1,5-dimethyl-3,4-diphenylpyrazole
SMILESCc1c(-c2ccccc2)c(-c2ccccc2)nn1C
InChIInChI=1S/C17H16N2/c1-13-16(14-9-5-3-6-10-14)17(18-19(13)2)15-11-7-4-8-12-15/h3-12H,1-2H3
InChIKeyXOKDMOHNEBWUMW-UHFFFAOYSA-N
MW248.33 g/mol
LogP4.06
Rot. Bonds2

About 1,5-dimethyl-3,4-diphenylpyrazole

1,5-dimethyl-3,4-diphenylpyrazole (PubChem CID 13146064) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1,5-dimethyl-3,4-diphenylpyrazole.

Molecular Properties

Compound Name1,5-dimethyl-3,4-diphenylpyrazole
PubChem CID13146064
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name1,5-dimethyl-3,4-diphenylpyrazole
SMILESCc1c(-c2ccccc2)c(-c2ccccc2)nn1C
InChIInChI=1S/C17H16N2/c1-13-16(14-9-5-3-6-10-14)17(18-19(13)2)15-11-7-4-8-12-15/h3-12H,1-2H3
InChIKeyXOKDMOHNEBWUMW-UHFFFAOYSA-N
XLogP4.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-1,3,4-triphenylpyrazole
CID 1202580
5-fluoro-1-methyl-3,4-diphenylpyrazole
CID 174249239
4-(4,5-diphenyl-1H-imidazol-2-yl)-1,3,5-trimethylpyrazole
CID 4885487
5-hydroxy-2-methyl-4,6-diphenylpyridazin-3-one
CID 54677994
4-(1,5-dimethyl-3-phenylpyrazol-4-yl)-7-(1-methylpyrazol-4-yl)quinazoline
CID 169231332
4,5-dimethyl-1,3-diphenylpyrazole
CID 13258584
3-(3-chloro-5-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 81317120
4-chloro-1-methyl-5-methylsulfanyl-3-phenylpyrazole
CID 153159520
4-ethyl-1-methyl-3,5-diphenylpyrazole
CID 21441230
3-(3,4-dichlorophenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 43336366
4-[2-[5-(1,5-dimethyl-3-phenylpyrazol-4-yl)imidazol-1-yl]propyl]morpholine
CID 46980375
3-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyridine
CID 18342925

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3,4-diphenylpyrazole?
The IUPAC name of 1,5-dimethyl-3,4-diphenylpyrazole (CID 13146064) is 1,5-dimethyl-3,4-diphenylpyrazole.
What is the SMILES notation for 1,5-dimethyl-3,4-diphenylpyrazole?
The canonical SMILES for 1,5-dimethyl-3,4-diphenylpyrazole is Cc1c(-c2ccccc2)c(-c2ccccc2)nn1C.
What is the InChIKey of 1,5-dimethyl-3,4-diphenylpyrazole?
The InChIKey is XOKDMOHNEBWUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-13-16(14-9-5-3-6-10-14)17(18-19(13)2)15-11-7-4-8-12-15/h3-12H,1-2H3.
What are the key properties of 1,5-dimethyl-3,4-diphenylpyrazole?
1,5-dimethyl-3,4-diphenylpyrazole has a molecular weight of 248.33 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3,4-diphenylpyrazole is sourced from PubChem (CID 13146064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).