5-(benzenesulfonyl)-7-(methoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine

C15H19N3O3S — CID 134076147

IUPAC5-(benzenesulfonyl)-7-(methoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
SMILESCOCC1CN(S(=O)(=O)c2ccccc2)Cc2ccnn2C1
InChIInChI=1S/C15H19N3O3S/c1-21-12-13-9-17(11-14-7-8-16-18(14)10-13)22(19,20)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3
InChIKeyBUIAJXKOMJRVBU-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.35
Rot. Bonds4

About 5-(benzenesulfonyl)-7-(methoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine

5-(benzenesulfonyl)-7-(methoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine (PubChem CID 134076147) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-7-(methoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name5-(benzenesulfonyl)-7-(methoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
PubChem CID134076147
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name5-(benzenesulfonyl)-7-(methoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
SMILESCOCC1CN(S(=O)(=O)c2ccccc2)Cc2ccnn2C1
InChIInChI=1S/C15H19N3O3S/c1-21-12-13-9-17(11-14-7-8-16-18(14)10-13)22(19,20)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3
InChIKeyBUIAJXKOMJRVBU-UHFFFAOYSA-N
XLogP1.35
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6R)-8-(benzenesulfonyl)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 97462213
1-(benzenesulfonyl)-4-(methoxymethyl)piperidine
CID 63999066
8-(4-fluorophenyl)sulfonyl-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 131654793
(6R)-8-(4-fluorophenyl)sulfonyl-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 97462215
4-(benzenesulfonyl)-2,6-bis(methoxymethyl)-1-methylpiperazine
CID 67277826
(7S)-7-(methoxymethyl)-5-[(4-methoxyphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 97463317
(7R)-7-(methoxymethyl)-5-[(1-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 97463309
(6R)-6-(methoxymethyl)-8-thiophen-2-ylsulfonyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepine
CID 97463601
[(7S)-7-(methoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-thiophen-3-ylmethanone
CID 97463321
4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylaniline
CID 64570002
3-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpiperidine
CID 121092316
3-(methoxymethyl)-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121092334

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-7-(methoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The IUPAC name of 5-(benzenesulfonyl)-7-(methoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine (CID 134076147) is 5-(benzenesulfonyl)-7-(methoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine.
What is the SMILES notation for 5-(benzenesulfonyl)-7-(methoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The canonical SMILES for 5-(benzenesulfonyl)-7-(methoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine is COCC1CN(S(=O)(=O)c2ccccc2)Cc2ccnn2C1.
What is the InChIKey of 5-(benzenesulfonyl)-7-(methoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The InChIKey is BUIAJXKOMJRVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-21-12-13-9-17(11-14-7-8-16-18(14)10-13)22(19,20)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3.
What are the key properties of 5-(benzenesulfonyl)-7-(methoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
5-(benzenesulfonyl)-7-(methoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine has a molecular weight of 321.40 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-7-(methoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine is sourced from PubChem (CID 134076147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).