N-[[5-(3-phenylbutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide

C18H26N4O2S — CID 118772859

IUPACN-[[5-(3-phenylbutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide
SMILESCC(CCN1CCn2nc(CNS(C)(=O)=O)cc2C1)c1ccccc1
InChIInChI=1S/C18H26N4O2S/c1-15(16-6-4-3-5-7-16)8-9-21-10-11-22-18(14-21)12-17(20-22)13-19-25(2,23)24/h3-7,12,15,19H,8-11,13-14H2,1-2H3
InChIKeyGJOMPXHWEHAJOZ-UHFFFAOYSA-N
MW362.50 g/mol
LogP1.94
Rot. Bonds7

About N-[[5-(3-phenylbutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide

N-[[5-(3-phenylbutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide (PubChem CID 118772859) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-[[5-(3-phenylbutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[5-(3-phenylbutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide
PubChem CID118772859
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC NameN-[[5-(3-phenylbutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide
SMILESCC(CCN1CCn2nc(CNS(C)(=O)=O)cc2C1)c1ccccc1
InChIInChI=1S/C18H26N4O2S/c1-15(16-6-4-3-5-7-16)8-9-21-10-11-22-18(14-21)12-17(20-22)13-19-25(2,23)24/h3-7,12,15,19H,8-11,13-14H2,1-2H3
InChIKeyGJOMPXHWEHAJOZ-UHFFFAOYSA-N
XLogP1.94
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-(3-phenylbutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

N-[[5-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide
CID 118771862
N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-4-methoxybenzenesulfonamide
CID 118796062
N-[[5-[(5-ethyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide
CID 70736904
3-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-methyl-1-phenylurea
CID 118778801
5-(2-phenylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile
CID 131902160
N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(2-methylphenyl)sulfanylacetamide
CID 118771310
1-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-3-[(1R)-1-phenylethyl]urea
CID 70758010
N-[[5-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide
CID 70704519
3-[5-[3-(5-methylfuran-2-yl)butyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid
CID 56886037
[5-(2-phenylsulfanylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
CID 91761102
N-[[7-(2-phenylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide
CID 97467554
N-(2-phenylpropyl)methanesulfonamide
CID 47121755

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-phenylbutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[5-(3-phenylbutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide (CID 118772859) is N-[[5-(3-phenylbutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[5-(3-phenylbutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[5-(3-phenylbutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide is CC(CCN1CCn2nc(CNS(C)(=O)=O)cc2C1)c1ccccc1.
What is the InChIKey of N-[[5-(3-phenylbutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide?
The InChIKey is GJOMPXHWEHAJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-15(16-6-4-3-5-7-16)8-9-21-10-11-22-18(14-21)12-17(20-22)13-19-25(2,23)24/h3-7,12,15,19H,8-11,13-14H2,1-2H3.
What are the key properties of N-[[5-(3-phenylbutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide?
N-[[5-(3-phenylbutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide has a molecular weight of 362.50 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-phenylbutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 118772859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).