N,N-dimethyl-2-(1,4-oxazepan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide

C14H25N5O3S — CID 56884063

IUPACN,N-dimethyl-2-(1,4-oxazepan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCn2nc(CN3CCCOCC3)cc2C1
InChIInChI=1S/C14H25N5O3S/c1-16(2)23(20,21)18-5-6-19-14(12-18)10-13(15-19)11-17-4-3-8-22-9-7-17/h10H,3-9,11-12H2,1-2H3
InChIKeyKPXQYVBRCCRJAE-UHFFFAOYSA-N
MW343.45 g/mol
LogP-0.27
Rot. Bonds4

About N,N-dimethyl-2-(1,4-oxazepan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide

N,N-dimethyl-2-(1,4-oxazepan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide (PubChem CID 56884063) has the molecular formula C14H25N5O3S and a molecular weight of 343.45 g/mol. Its IUPAC name is N,N-dimethyl-2-(1,4-oxazepan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(1,4-oxazepan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide
PubChem CID56884063
Molecular FormulaC14H25N5O3S
Molecular Weight343.45 g/mol
Exact Mass343.17
IUPAC NameN,N-dimethyl-2-(1,4-oxazepan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCn2nc(CN3CCCOCC3)cc2C1
InChIInChI=1S/C14H25N5O3S/c1-16(2)23(20,21)18-5-6-19-14(12-18)10-13(15-19)11-17-4-3-8-22-9-7-17/h10H,3-9,11-12H2,1-2H3
InChIKeyKPXQYVBRCCRJAE-UHFFFAOYSA-N
XLogP-0.27
TPSA70.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-2-(1,4-oxazepan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(1,4-oxazepan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide?
The IUPAC name of N,N-dimethyl-2-(1,4-oxazepan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide (CID 56884063) is N,N-dimethyl-2-(1,4-oxazepan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide.
What is the SMILES notation for N,N-dimethyl-2-(1,4-oxazepan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide?
The canonical SMILES for N,N-dimethyl-2-(1,4-oxazepan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide is CN(C)S(=O)(=O)N1CCn2nc(CN3CCCOCC3)cc2C1.
What is the InChIKey of N,N-dimethyl-2-(1,4-oxazepan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide?
The InChIKey is KPXQYVBRCCRJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O3S/c1-16(2)23(20,21)18-5-6-19-14(12-18)10-13(15-19)11-17-4-3-8-22-9-7-17/h10H,3-9,11-12H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(1,4-oxazepan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide?
N,N-dimethyl-2-(1,4-oxazepan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide has a molecular weight of 343.45 g/mol, XLogP of -0.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(1,4-oxazepan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide is sourced from PubChem (CID 56884063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).