N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-4-methoxybenzenesulfonamide

C18H26N4O3S — CID 118796062

IUPACN-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-4-methoxybenzenesulfonamide
SMILESCCCCN1CCn2nc(CNS(=O)(=O)c3ccc(OC)cc3)cc2C1
InChIInChI=1S/C18H26N4O3S/c1-3-4-9-21-10-11-22-16(14-21)12-15(20-22)13-19-26(23,24)18-7-5-17(25-2)6-8-18/h5-8,12,19H,3-4,9-11,13-14H2,1-2H3
InChIKeyVHPHEXSUMZBERO-UHFFFAOYSA-N
MW378.50 g/mol
LogP1.99
Rot. Bonds8

About N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-4-methoxybenzenesulfonamide

N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-4-methoxybenzenesulfonamide (PubChem CID 118796062) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-4-methoxybenzenesulfonamide
PubChem CID118796062
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC NameN-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-4-methoxybenzenesulfonamide
SMILESCCCCN1CCn2nc(CNS(=O)(=O)c3ccc(OC)cc3)cc2C1
InChIInChI=1S/C18H26N4O3S/c1-3-4-9-21-10-11-22-16(14-21)12-15(20-22)13-19-26(23,24)18-7-5-17(25-2)6-8-18/h5-8,12,19H,3-4,9-11,13-14H2,1-2H3
InChIKeyVHPHEXSUMZBERO-UHFFFAOYSA-N
XLogP1.99
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-4-methoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine
CID 118790526
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzenesulfonamide
CID 110445870
N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 118786259
(2S)-N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 121496666
3-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-methyl-1-phenylurea
CID 118778801
N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-indol-1-ylacetamide
CID 118784917
N-[(5-pentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]pyrimidin-2-amine
CID 118765107
N-[[5-(3-phenylbutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide
CID 118772859
N-[[5-[(4-methoxy-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 121495415
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methoxybenzenesulfonamide
CID 22771326
N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(1H-imidazol-2-yl)benzamide
CID 118795304
1,3-dimethyl-2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzimidazole-5-sulfonamide;hydrochloride
CID 154896902

Frequently Asked Questions

What is the IUPAC name of N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-4-methoxybenzenesulfonamide (CID 118796062) is N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-4-methoxybenzenesulfonamide is CCCCN1CCn2nc(CNS(=O)(=O)c3ccc(OC)cc3)cc2C1.
What is the InChIKey of N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-4-methoxybenzenesulfonamide?
The InChIKey is VHPHEXSUMZBERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-3-4-9-21-10-11-22-16(14-21)12-15(20-22)13-19-26(23,24)18-7-5-17(25-2)6-8-18/h5-8,12,19H,3-4,9-11,13-14H2,1-2H3.
What are the key properties of N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-4-methoxybenzenesulfonamide?
N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-4-methoxybenzenesulfonamide has a molecular weight of 378.50 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 118796062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).