3,4,5,8-tetramethyl-1-phenyl-5,6-dihydropyrazolo[4,5-b][1,4]diazepin-7-one

C16H20N4O — CID 622914

IUPAC3,4,5,8-tetramethyl-1-phenyl-5,6-dihydropyrazolo[4,5-b][1,4]diazepin-7-one
SMILESCc1nn(-c2ccccc2)c2c1N(C)C(C)CC(=O)N2C
InChIInChI=1S/C16H20N4O/c1-11-10-14(21)19(4)16-15(18(11)3)12(2)17-20(16)13-8-6-5-7-9-13/h5-9,11H,10H2,1-4H3
InChIKeyALSACTKCNSJIPW-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.37
Rot. Bonds1

About 3,4,5,8-tetramethyl-1-phenyl-5,6-dihydropyrazolo[4,5-b][1,4]diazepin-7-one

3,4,5,8-tetramethyl-1-phenyl-5,6-dihydropyrazolo[4,5-b][1,4]diazepin-7-one (PubChem CID 622914) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 3,4,5,8-tetramethyl-1-phenyl-5,6-dihydropyrazolo[4,5-b][1,4]diazepin-7-one.

Molecular Properties

Compound Name3,4,5,8-tetramethyl-1-phenyl-5,6-dihydropyrazolo[4,5-b][1,4]diazepin-7-one
PubChem CID622914
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name3,4,5,8-tetramethyl-1-phenyl-5,6-dihydropyrazolo[4,5-b][1,4]diazepin-7-one
SMILESCc1nn(-c2ccccc2)c2c1N(C)C(C)CC(=O)N2C
InChIInChI=1S/C16H20N4O/c1-11-10-14(21)19(4)16-15(18(11)3)12(2)17-20(16)13-8-6-5-7-9-13/h5-9,11H,10H2,1-4H3
InChIKeyALSACTKCNSJIPW-UHFFFAOYSA-N
XLogP2.37
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,4,5,8-tetramethyl-1-phenyl-5,6-dihydropyrazolo[4,5-b][1,4]diazepin-7-one with MolForge

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Related Compounds

3,4-dimethyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 155424536
4-methanidyl-3,5-dimethyl-1-phenylpyrazole;yttrium
CID 176877441
3,5-dimethyl-1-phenyl-5,6-dihydropyrano[3,2-d]pyrazol-4-one
CID 13068072
3,7-dimethyl-1-phenyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-5-carboxylic acid
CID 82027269
(4S)-7-ethyl-3-methyl-1,4-diphenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one
CID 177014897
(2S)-3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-2-phenyl-1,3-thiazolidin-4-one
CID 139059273
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 7742106
3-methyl-4-(1-methylpyrazol-3-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169416863
(4S)-3-methyl-4-(2-methylphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136737482
(4R)-3-methyl-4-(3-methylimidazo[1,5-a]pyridin-1-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136882272
3-methyl-4-(3-methylimidazo[1,5-a]pyridin-1-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135990272
3-methyl-1-phenylpyrazolo[4,5-b]pyridine
CID 76847108

Frequently Asked Questions

What is the IUPAC name of 3,4,5,8-tetramethyl-1-phenyl-5,6-dihydropyrazolo[4,5-b][1,4]diazepin-7-one?
The IUPAC name of 3,4,5,8-tetramethyl-1-phenyl-5,6-dihydropyrazolo[4,5-b][1,4]diazepin-7-one (CID 622914) is 3,4,5,8-tetramethyl-1-phenyl-5,6-dihydropyrazolo[4,5-b][1,4]diazepin-7-one.
What is the SMILES notation for 3,4,5,8-tetramethyl-1-phenyl-5,6-dihydropyrazolo[4,5-b][1,4]diazepin-7-one?
The canonical SMILES for 3,4,5,8-tetramethyl-1-phenyl-5,6-dihydropyrazolo[4,5-b][1,4]diazepin-7-one is Cc1nn(-c2ccccc2)c2c1N(C)C(C)CC(=O)N2C.
What is the InChIKey of 3,4,5,8-tetramethyl-1-phenyl-5,6-dihydropyrazolo[4,5-b][1,4]diazepin-7-one?
The InChIKey is ALSACTKCNSJIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-10-14(21)19(4)16-15(18(11)3)12(2)17-20(16)13-8-6-5-7-9-13/h5-9,11H,10H2,1-4H3.
What are the key properties of 3,4,5,8-tetramethyl-1-phenyl-5,6-dihydropyrazolo[4,5-b][1,4]diazepin-7-one?
3,4,5,8-tetramethyl-1-phenyl-5,6-dihydropyrazolo[4,5-b][1,4]diazepin-7-one has a molecular weight of 284.36 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,8-tetramethyl-1-phenyl-5,6-dihydropyrazolo[4,5-b][1,4]diazepin-7-one is sourced from PubChem (CID 622914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).