5-acetyl-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine

C14H25N5O3S — CID 70733061

IUPAC5-acetyl-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
SMILESCC(=O)N1CCCn2nc(CNS(=O)(=O)N(C)C(C)C)cc2C1
InChIInChI=1S/C14H25N5O3S/c1-11(2)17(4)23(21,22)15-9-13-8-14-10-18(12(3)20)6-5-7-19(14)16-13/h8,11,15H,5-7,9-10H2,1-4H3
InChIKeyINGFDSWJSMSVCP-UHFFFAOYSA-N
MW343.45 g/mol
LogP0.31
Rot. Bonds5

About 5-acetyl-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine

5-acetyl-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine (PubChem CID 70733061) has the molecular formula C14H25N5O3S and a molecular weight of 343.45 g/mol. Its IUPAC name is 5-acetyl-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name5-acetyl-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
PubChem CID70733061
Molecular FormulaC14H25N5O3S
Molecular Weight343.45 g/mol
Exact Mass343.17
IUPAC Name5-acetyl-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
SMILESCC(=O)N1CCCn2nc(CNS(=O)(=O)N(C)C(C)C)cc2C1
InChIInChI=1S/C14H25N5O3S/c1-11(2)17(4)23(21,22)15-9-13-8-14-10-18(12(3)20)6-5-7-19(14)16-13/h8,11,15H,5-7,9-10H2,1-4H3
InChIKeyINGFDSWJSMSVCP-UHFFFAOYSA-N
XLogP0.31
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]methanesulfonamide
CID 45804050
2-(3,5-dimethylpyrazol-1-yl)-N-(2-oxoazepan-3-yl)acetamide
CID 45818825
N-[3-[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-3-oxopropyl]methanesulfonamide
CID 53625103
methyl {2-[2-{[(3S)-3-fluoro-1-pyrrolidinyl]methyl}-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-2-oxoethyl}carbamate (non-preferred name)
CID 56886477
3-methoxy-N-[(5-propyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]propanamide
CID 70709977
N~2~-cyclopentyl-N~2~-methyl-N~1~-[(5-propyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]glycinamide
CID 70713788
N-[(5-cyclohexyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-3-(methylthio)propanamide
CID 70717004
methyl [(5-acetyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]carbamate
CID 70721386
2-[(L-methionylamino)methyl]-N,N-dimethyl-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carboxamide
CID 70724708
N-[(5-acetyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]piperidine-1-carboxamide
CID 70732583
N-[(5-acetyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-4-methylpiperidine-1-sulfonamide
CID 70737586
N-[(5-cyclohexyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-(isopropylthio)acetamide
CID 70741712

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The IUPAC name of 5-acetyl-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine (CID 70733061) is 5-acetyl-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine.
What is the SMILES notation for 5-acetyl-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The canonical SMILES for 5-acetyl-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine is CC(=O)N1CCCn2nc(CNS(=O)(=O)N(C)C(C)C)cc2C1.
What is the InChIKey of 5-acetyl-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The InChIKey is INGFDSWJSMSVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O3S/c1-11(2)17(4)23(21,22)15-9-13-8-14-10-18(12(3)20)6-5-7-19(14)16-13/h8,11,15H,5-7,9-10H2,1-4H3.
What are the key properties of 5-acetyl-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
5-acetyl-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine has a molecular weight of 343.45 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine is sourced from PubChem (CID 70733061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).