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

C18H26N4O2S — CID 131678065

IUPACN-[[5-[(3,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CN(Cc2cc(C)cc(C)c2)Cc2ccnn21
InChIInChI=1S/C18H26N4O2S/c1-4-25(23,24)20-10-18-13-21(12-17-5-6-19-22(17)18)11-16-8-14(2)7-15(3)9-16/h5-9,18,20H,4,10-13H2,1-3H3
InChIKeyMVTCIYQTAXCNGJ-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.00
Rot. Bonds6

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

N-[[5-[(3,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide (PubChem CID 131678065) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-[[5-[(3,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[5-[(3,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide
PubChem CID131678065
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC NameN-[[5-[(3,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CN(Cc2cc(C)cc(C)c2)Cc2ccnn21
InChIInChI=1S/C18H26N4O2S/c1-4-25(23,24)20-10-18-13-21(12-17-5-6-19-22(17)18)11-16-8-14(2)7-15(3)9-16/h5-9,18,20H,4,10-13H2,1-3H3
InChIKeyMVTCIYQTAXCNGJ-UHFFFAOYSA-N
XLogP2.00
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide?
The IUPAC name of N-[[5-[(3,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide (CID 131678065) is N-[[5-[(3,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[5-[(3,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[5-[(3,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide is CCS(=O)(=O)NCC1CN(Cc2cc(C)cc(C)c2)Cc2ccnn21.
What is the InChIKey of N-[[5-[(3,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide?
The InChIKey is MVTCIYQTAXCNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-4-25(23,24)20-10-18-13-21(12-17-5-6-19-22(17)18)11-16-8-14(2)7-15(3)9-16/h5-9,18,20H,4,10-13H2,1-3H3.
What are the key properties of N-[[5-[(3,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide?
N-[[5-[(3,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide has a molecular weight of 362.50 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 131678065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).