N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1-phenylmethanesulfonamide

C17H22N4O3S — CID 70782476

IUPACN-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1-phenylmethanesulfonamide
SMILESCC(=O)N1CCCn2nc(CNS(=O)(=O)Cc3ccccc3)cc2C1
InChIInChI=1S/C17H22N4O3S/c1-14(22)20-8-5-9-21-17(12-20)10-16(19-21)11-18-25(23,24)13-15-6-3-2-4-7-15/h2-4,6-7,10,18H,5,8-9,11-13H2,1H3
InChIKeyHFDJWINTNJEVBA-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.25
Rot. Bonds5

About N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1-phenylmethanesulfonamide

N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1-phenylmethanesulfonamide (PubChem CID 70782476) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1-phenylmethanesulfonamide
PubChem CID70782476
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1-phenylmethanesulfonamide
SMILESCC(=O)N1CCCn2nc(CNS(=O)(=O)Cc3ccccc3)cc2C1
InChIInChI=1S/C17H22N4O3S/c1-14(22)20-8-5-9-21-17(12-20)10-16(19-21)11-18-25(23,24)13-15-6-3-2-4-7-15/h2-4,6-7,10,18H,5,8-9,11-13H2,1H3
InChIKeyHFDJWINTNJEVBA-UHFFFAOYSA-N
XLogP1.25
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1-phenylmethanesulfonamide with MolForge

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Related Compounds

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N~1~-cycloheptyl-N~2~-(4-methylphenyl)-N~2~-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]glycinamide
CID 3236369
N-cyclohexyl-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 20858715
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 32280159
1-[2-(4-Fluorophenyl)-4H,5H,6H,7H,8H-pyrazolo[1,5-A][1,4]diazepin-5-YL]ethan-1-one
CID 53014806
1-[2-(3-fluorophenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-1-ethanone
CID 53014809
N-{[5-(2,5-dimethylbenzyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methyl}methanesulfonamide
CID 70734867
3-cyano-N-[(5-propyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]benzenesulfonamide
CID 70738414
N-{[5-(3-cyanobenzyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methyl}methanesulfonamide
CID 70740608
N-{[5-(3-fluoro-5-methylbenzyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methyl}methanesulfonamide
CID 70758549
N-{[5-(3-vinylbenzyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methyl}methanesulfonamide
CID 70769571

Frequently Asked Questions

What is the IUPAC name of N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1-phenylmethanesulfonamide (CID 70782476) is N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1-phenylmethanesulfonamide is CC(=O)N1CCCn2nc(CNS(=O)(=O)Cc3ccccc3)cc2C1.
What is the InChIKey of N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1-phenylmethanesulfonamide?
The InChIKey is HFDJWINTNJEVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-14(22)20-8-5-9-21-17(12-20)10-16(19-21)11-18-25(23,24)13-15-6-3-2-4-7-15/h2-4,6-7,10,18H,5,8-9,11-13H2,1H3.
What are the key properties of N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1-phenylmethanesulfonamide?
N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1-phenylmethanesulfonamide has a molecular weight of 362.46 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 70782476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).