4-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-N,N-dimethylbenzenesulfonamide

C18H22N4O3S — CID 119103032

IUPAC4-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N2CCn3nc(C4CC4)cc3C2)cc1
InChIInChI=1S/C18H22N4O3S/c1-20(2)26(24,25)16-7-5-14(6-8-16)18(23)21-9-10-22-15(12-21)11-17(19-22)13-3-4-13/h5-8,11,13H,3-4,9-10,12H2,1-2H3
InChIKeyNZHPFOHBQBOBCS-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.67
Rot. Bonds4

About 4-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-N,N-dimethylbenzenesulfonamide

4-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-N,N-dimethylbenzenesulfonamide (PubChem CID 119103032) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 4-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-N,N-dimethylbenzenesulfonamide
PubChem CID119103032
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name4-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N2CCn3nc(C4CC4)cc3C2)cc1
InChIInChI=1S/C18H22N4O3S/c1-20(2)26(24,25)16-7-5-14(6-8-16)18(23)21-9-10-22-15(12-21)11-17(19-22)13-3-4-13/h5-8,11,13H,3-4,9-10,12H2,1-2H3
InChIKeyNZHPFOHBQBOBCS-UHFFFAOYSA-N
XLogP1.67
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-N,N-dimethylbenzenesulfonamide (CID 119103032) is 4-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(C(=O)N2CCn3nc(C4CC4)cc3C2)cc1.
What is the InChIKey of 4-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-N,N-dimethylbenzenesulfonamide?
The InChIKey is NZHPFOHBQBOBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-20(2)26(24,25)16-7-5-14(6-8-16)18(23)21-9-10-22-15(12-21)11-17(19-22)13-3-4-13/h5-8,11,13H,3-4,9-10,12H2,1-2H3.
What are the key properties of 4-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-N,N-dimethylbenzenesulfonamide?
4-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-N,N-dimethylbenzenesulfonamide has a molecular weight of 374.47 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 119103032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).