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

C16H18N4O5S — CID 124781960

IUPACN-[[(7R)-5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)Cc2ccnn21
InChIInChI=1S/C16H18N4O5S/c1-26(22,23)18-7-13-9-19(8-12-4-5-17-20(12)13)16(21)11-2-3-14-15(6-11)25-10-24-14/h2-6,13,18H,7-10H2,1H3/t13-/m0/s1
InChIKeyCLSCXRGSASTXTN-ZDUSSCGKSA-N
MW378.41 g/mol
LogP0.36
Rot. Bonds4

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

N-[[(7R)-5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide (PubChem CID 124781960) has the molecular formula C16H18N4O5S and a molecular weight of 378.41 g/mol. Its IUPAC name is N-[[(7R)-5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(7R)-5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
PubChem CID124781960
Molecular FormulaC16H18N4O5S
Molecular Weight378.41 g/mol
Exact Mass378.10
IUPAC NameN-[[(7R)-5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)Cc2ccnn21
InChIInChI=1S/C16H18N4O5S/c1-26(22,23)18-7-13-9-19(8-12-4-5-17-20(12)13)16(21)11-2-3-14-15(6-11)25-10-24-14/h2-6,13,18H,7-10H2,1H3/t13-/m0/s1
InChIKeyCLSCXRGSASTXTN-ZDUSSCGKSA-N
XLogP0.36
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[5-(6-methylpyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
CID 133142949
N-[[1-(1,3-benzodioxole-5-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 51079196
N-[2-[(7S)-5-(5-methylthiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide
CID 124790041
N-[[5-(1,3-benzodioxol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide
CID 131678219
N-[[5-(2-cyclopentyloxyacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
CID 131661850
N-[[(7S)-5-(1-ethylpiperidine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
CID 124831076
2-(1,3-benzodioxol-5-yl)-1-[(7S)-7-[(dimethylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 124814359
2-(1,3-benzodioxol-5-yl)-1-[7-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 131642465
N-[(3S,4R)-1-(1,3-benzodioxole-5-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 70710992
N-[[(7R)-5-(furan-3-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide
CID 124782709
1,3-benzodioxol-5-yl-(3-hydroxyazetidin-1-yl)methanone
CID 63107498
N-[2-[5-(2-pyridin-2-ylacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide
CID 133140458

Frequently Asked Questions

What is the IUPAC name of N-[[(7R)-5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(7R)-5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide (CID 124781960) is N-[[(7R)-5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(7R)-5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(7R)-5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide is CS(=O)(=O)NC[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)Cc2ccnn21.
What is the InChIKey of N-[[(7R)-5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide?
The InChIKey is CLSCXRGSASTXTN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18N4O5S/c1-26(22,23)18-7-13-9-19(8-12-4-5-17-20(12)13)16(21)11-2-3-14-15(6-11)25-10-24-14/h2-6,13,18H,7-10H2,1H3/t13-/m0/s1.
What are the key properties of N-[[(7R)-5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide?
N-[[(7R)-5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide has a molecular weight of 378.41 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(7R)-5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide is sourced from PubChem (CID 124781960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).