4-methyl-1-(5-methyl-1,3-diphenylpyrazole-4-carbonyl)-1,4-diazepan-5-one

C23H24N4O2 — CID 42331686

IUPAC4-methyl-1-(5-methyl-1,3-diphenylpyrazole-4-carbonyl)-1,4-diazepan-5-one
SMILESCc1c(C(=O)N2CCC(=O)N(C)CC2)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C23H24N4O2/c1-17-21(23(29)26-14-13-20(28)25(2)15-16-26)22(18-9-5-3-6-10-18)24-27(17)19-11-7-4-8-12-19/h3-12H,13-16H2,1-2H3
InChIKeyNPTZQGVPOVPUAG-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.15
Rot. Bonds3

About 4-methyl-1-(5-methyl-1,3-diphenylpyrazole-4-carbonyl)-1,4-diazepan-5-one

4-methyl-1-(5-methyl-1,3-diphenylpyrazole-4-carbonyl)-1,4-diazepan-5-one (PubChem CID 42331686) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-methyl-1-(5-methyl-1,3-diphenylpyrazole-4-carbonyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-methyl-1-(5-methyl-1,3-diphenylpyrazole-4-carbonyl)-1,4-diazepan-5-one
PubChem CID42331686
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name4-methyl-1-(5-methyl-1,3-diphenylpyrazole-4-carbonyl)-1,4-diazepan-5-one
SMILESCc1c(C(=O)N2CCC(=O)N(C)CC2)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C23H24N4O2/c1-17-21(23(29)26-14-13-20(28)25(2)15-16-26)22(18-9-5-3-6-10-18)24-27(17)19-11-7-4-8-12-19/h3-12H,13-16H2,1-2H3
InChIKeyNPTZQGVPOVPUAG-UHFFFAOYSA-N
XLogP3.15
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methyl-1,3-diphenylpyrazol-4-yl)-morpholin-4-ylmethanone
CID 3079318
5-methyl-1,3-diphenylpyrazole-4-carboxylic acid
CID 673680
[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-(5-methyl-1,3-diphenylpyrazol-4-yl)methanone
CID 19478034
(5-methyl-1,3-diphenylpyrazol-4-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19478030
(3R,4R)-4-hydroxy-1-(5-methyl-1,3-diphenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
CID 156585563
5-methyl-1,3-diphenylpyrazole-4-carboxylate
CID 4739263
azepan-1-yl-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone
CID 9036569
N,5-dimethyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473549
5-methyl-1,3-diphenyl-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide
CID 4016241
(3,5-dimethyl-1-phenylpyrazol-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 51252296
1,3-dimethyl-4-(4-methyl-5-oxo-1,4-diazepane-1-carbonyl)quinolin-2-one
CID 167986126
5-methyl-1,3-diphenyl-N,N-di(propan-2-yl)pyrazole-4-carboxamide
CID 3079315

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(5-methyl-1,3-diphenylpyrazole-4-carbonyl)-1,4-diazepan-5-one?
The IUPAC name of 4-methyl-1-(5-methyl-1,3-diphenylpyrazole-4-carbonyl)-1,4-diazepan-5-one (CID 42331686) is 4-methyl-1-(5-methyl-1,3-diphenylpyrazole-4-carbonyl)-1,4-diazepan-5-one.
What is the SMILES notation for 4-methyl-1-(5-methyl-1,3-diphenylpyrazole-4-carbonyl)-1,4-diazepan-5-one?
The canonical SMILES for 4-methyl-1-(5-methyl-1,3-diphenylpyrazole-4-carbonyl)-1,4-diazepan-5-one is Cc1c(C(=O)N2CCC(=O)N(C)CC2)c(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of 4-methyl-1-(5-methyl-1,3-diphenylpyrazole-4-carbonyl)-1,4-diazepan-5-one?
The InChIKey is NPTZQGVPOVPUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-17-21(23(29)26-14-13-20(28)25(2)15-16-26)22(18-9-5-3-6-10-18)24-27(17)19-11-7-4-8-12-19/h3-12H,13-16H2,1-2H3.
What are the key properties of 4-methyl-1-(5-methyl-1,3-diphenylpyrazole-4-carbonyl)-1,4-diazepan-5-one?
4-methyl-1-(5-methyl-1,3-diphenylpyrazole-4-carbonyl)-1,4-diazepan-5-one has a molecular weight of 388.47 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(5-methyl-1,3-diphenylpyrazole-4-carbonyl)-1,4-diazepan-5-one is sourced from PubChem (CID 42331686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).