6,8-dimethyl-1,3-diphenyl-5,6-dihydropyrazolo[5,4-e][1,4]diazepine-4,7-dione

C20H18N4O2 — CID 15228920

IUPAC6,8-dimethyl-1,3-diphenyl-5,6-dihydropyrazolo[5,4-e][1,4]diazepine-4,7-dione
SMILESCC1NC(=O)c2c(-c3ccccc3)nn(-c3ccccc3)c2N(C)C1=O
InChIInChI=1S/C20H18N4O2/c1-13-20(26)23(2)19-16(18(25)21-13)17(14-9-5-3-6-10-14)22-24(19)15-11-7-4-8-12-15/h3-13H,1-2H3,(H,21,25)
InChIKeyRLNFJSLZBUFREM-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.63
Rot. Bonds2

About 6,8-dimethyl-1,3-diphenyl-5,6-dihydropyrazolo[5,4-e][1,4]diazepine-4,7-dione

6,8-dimethyl-1,3-diphenyl-5,6-dihydropyrazolo[5,4-e][1,4]diazepine-4,7-dione (PubChem CID 15228920) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 6,8-dimethyl-1,3-diphenyl-5,6-dihydropyrazolo[5,4-e][1,4]diazepine-4,7-dione.

Molecular Properties

Compound Name6,8-dimethyl-1,3-diphenyl-5,6-dihydropyrazolo[5,4-e][1,4]diazepine-4,7-dione
PubChem CID15228920
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name6,8-dimethyl-1,3-diphenyl-5,6-dihydropyrazolo[5,4-e][1,4]diazepine-4,7-dione
SMILESCC1NC(=O)c2c(-c3ccccc3)nn(-c3ccccc3)c2N(C)C1=O
InChIInChI=1S/C20H18N4O2/c1-13-20(26)23(2)19-16(18(25)21-13)17(14-9-5-3-6-10-14)22-24(19)15-11-7-4-8-12-15/h3-13H,1-2H3,(H,21,25)
InChIKeyRLNFJSLZBUFREM-UHFFFAOYSA-N
XLogP2.63
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1,3,4-triphenylpyrazole
CID 1202580
5-methyl-1,3-diphenyl-4,5-dihydrobenzo[e]indazole
CID 12713194
1,3,4-triphenylpyrazole-5-carboxylic acid
CID 15566290
4,5-dimethyl-1,3-diphenylpyrazole
CID 13258584
1-(3-chlorophenyl)-5-methyl-3-phenylpyrazolo[4,5-c]quinolin-4-one
CID 2785503
5-methyl-1,3-diphenylpyrazole-4-carboxylic acid
CID 673680
4-methyl-1,3-diphenylpyrazol-5-amine
CID 43336769
(5S)-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 853799
(5R)-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 853800
5-chloro-4-methyl-1,3-diphenylpyrazole
CID 104847504
6,6-dimethyl-3-phenyl-1-(4-propan-2-ylphenyl)-5,7-dihydroindazol-4-one
CID 70121924
1,3-diphenylthieno[3,4-d]pyridazin-4-one
CID 134113755

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-1,3-diphenyl-5,6-dihydropyrazolo[5,4-e][1,4]diazepine-4,7-dione?
The IUPAC name of 6,8-dimethyl-1,3-diphenyl-5,6-dihydropyrazolo[5,4-e][1,4]diazepine-4,7-dione (CID 15228920) is 6,8-dimethyl-1,3-diphenyl-5,6-dihydropyrazolo[5,4-e][1,4]diazepine-4,7-dione.
What is the SMILES notation for 6,8-dimethyl-1,3-diphenyl-5,6-dihydropyrazolo[5,4-e][1,4]diazepine-4,7-dione?
The canonical SMILES for 6,8-dimethyl-1,3-diphenyl-5,6-dihydropyrazolo[5,4-e][1,4]diazepine-4,7-dione is CC1NC(=O)c2c(-c3ccccc3)nn(-c3ccccc3)c2N(C)C1=O.
What is the InChIKey of 6,8-dimethyl-1,3-diphenyl-5,6-dihydropyrazolo[5,4-e][1,4]diazepine-4,7-dione?
The InChIKey is RLNFJSLZBUFREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-13-20(26)23(2)19-16(18(25)21-13)17(14-9-5-3-6-10-14)22-24(19)15-11-7-4-8-12-15/h3-13H,1-2H3,(H,21,25).
What are the key properties of 6,8-dimethyl-1,3-diphenyl-5,6-dihydropyrazolo[5,4-e][1,4]diazepine-4,7-dione?
6,8-dimethyl-1,3-diphenyl-5,6-dihydropyrazolo[5,4-e][1,4]diazepine-4,7-dione has a molecular weight of 346.39 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-1,3-diphenyl-5,6-dihydropyrazolo[5,4-e][1,4]diazepine-4,7-dione is sourced from PubChem (CID 15228920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).