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

C14H24N4O3S — CID 131663594

IUPAC7-[2-(cyclopropylmethoxy)ethyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide
SMILESCN(C)S(=O)(=O)N1Cc2ccnn2C(CCOCC2CC2)C1
InChIInChI=1S/C14H24N4O3S/c1-16(2)22(19,20)17-9-13-5-7-15-18(13)14(10-17)6-8-21-11-12-3-4-12/h5,7,12,14H,3-4,6,8-11H2,1-2H3
InChIKeyJFOKZOOAMBSAST-UHFFFAOYSA-N
MW328.44 g/mol
LogP0.86
Rot. Bonds7

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

7-[2-(cyclopropylmethoxy)ethyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide (PubChem CID 131663594) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is 7-[2-(cyclopropylmethoxy)ethyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide.

Molecular Properties

Compound Name7-[2-(cyclopropylmethoxy)ethyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide
PubChem CID131663594
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC Name7-[2-(cyclopropylmethoxy)ethyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide
SMILESCN(C)S(=O)(=O)N1Cc2ccnn2C(CCOCC2CC2)C1
InChIInChI=1S/C14H24N4O3S/c1-16(2)22(19,20)17-9-13-5-7-15-18(13)14(10-17)6-8-21-11-12-3-4-12/h5,7,12,14H,3-4,6,8-11H2,1-2H3
InChIKeyJFOKZOOAMBSAST-UHFFFAOYSA-N
XLogP0.86
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(7S)-N,N-dimethyl-7-[2-(oxan-4-ylmethoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide
CID 124805248
N,N-dimethyl-7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide
CID 131656757
(7R)-5-methylsulfonyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 124781899
(7S)-5-methylsulfonyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 124781898
(7S)-7-[2-(cyclopropylmethoxy)ethyl]-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 124790492
(1-methylpyrrol-2-yl)-[(7R)-7-[2-(oxan-4-ylmethoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 124815853
(1-methylpyrrol-2-yl)-[(7S)-7-[2-(oxan-4-ylmethoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 124815855
5-(furan-2-ylmethyl)-7-[2-(oxan-4-ylmethoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 131671998
5-ethylsulfonyl-7-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 131678549
(7R)-7-(cyclopropylmethoxymethyl)-1-ethyl-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-sulfonamide
CID 97368213
(6S)-N,N-dimethyl-6-(2-methylpropoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide
CID 97477864
5-(2-ethylsulfonylethyl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 133142240

Frequently Asked Questions

What is the IUPAC name of 7-[2-(cyclopropylmethoxy)ethyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide?
The IUPAC name of 7-[2-(cyclopropylmethoxy)ethyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide (CID 131663594) is 7-[2-(cyclopropylmethoxy)ethyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide.
What is the SMILES notation for 7-[2-(cyclopropylmethoxy)ethyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide?
The canonical SMILES for 7-[2-(cyclopropylmethoxy)ethyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide is CN(C)S(=O)(=O)N1Cc2ccnn2C(CCOCC2CC2)C1.
What is the InChIKey of 7-[2-(cyclopropylmethoxy)ethyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide?
The InChIKey is JFOKZOOAMBSAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-16(2)22(19,20)17-9-13-5-7-15-18(13)14(10-17)6-8-21-11-12-3-4-12/h5,7,12,14H,3-4,6,8-11H2,1-2H3.
What are the key properties of 7-[2-(cyclopropylmethoxy)ethyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide?
7-[2-(cyclopropylmethoxy)ethyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide has a molecular weight of 328.44 g/mol, XLogP of 0.86, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(cyclopropylmethoxy)ethyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide is sourced from PubChem (CID 131663594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).