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

C16H27N5O3S — CID 124831076

IUPACN-[[(7S)-5-(1-ethylpiperidine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
SMILESCCN1CCC(C(=O)N2Cc3ccnn3[C@H](CNS(C)(=O)=O)C2)CC1
InChIInChI=1S/C16H27N5O3S/c1-3-19-8-5-13(6-9-19)16(22)20-11-14-4-7-17-21(14)15(12-20)10-18-25(2,23)24/h4,7,13,15,18H,3,5-6,8-12H2,1-2H3/t15-/m1/s1
InChIKeyMBJKNMGIDZDJQD-OAHLLOKOSA-N
MW369.49 g/mol
LogP0.05
Rot. Bonds5

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

N-[[(7S)-5-(1-ethylpiperidine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide (PubChem CID 124831076) has the molecular formula C16H27N5O3S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[[(7S)-5-(1-ethylpiperidine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(7S)-5-(1-ethylpiperidine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
PubChem CID124831076
Molecular FormulaC16H27N5O3S
Molecular Weight369.49 g/mol
Exact Mass369.18
IUPAC NameN-[[(7S)-5-(1-ethylpiperidine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
SMILESCCN1CCC(C(=O)N2Cc3ccnn3[C@H](CNS(C)(=O)=O)C2)CC1
InChIInChI=1S/C16H27N5O3S/c1-3-19-8-5-13(6-9-19)16(22)20-11-14-4-7-17-21(14)15(12-20)10-18-25(2,23)24/h4,7,13,15,18H,3,5-6,8-12H2,1-2H3/t15-/m1/s1
InChIKeyMBJKNMGIDZDJQD-OAHLLOKOSA-N
XLogP0.05
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(7S)-5-(1-ethylpiperidine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

N-[[(7S)-5-(oxane-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
CID 124782387
(1-ethylpiperidin-4-yl)-[7-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 133137344
N-[[5-(6-methylpyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
CID 133142949
N-[[5-(2-cyclopentyloxyacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
CID 131661850
N-[[5-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
CID 133144290
N-[[(7S)-5-(2-pyridin-2-ylacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
CID 124783317
N-[[(7R)-5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
CID 124781960
N-[[5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
CID 131646319
N-[[5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide
CID 131660399
N-[[5-[(2-methoxy-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
CID 133137080
N-[2-[(7S)-5-(5-methylthiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide
CID 124790041
2-[5-(3-fluorocyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide
CID 131693779

Frequently Asked Questions

What is the IUPAC name of N-[[(7S)-5-(1-ethylpiperidine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(7S)-5-(1-ethylpiperidine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide (CID 124831076) is N-[[(7S)-5-(1-ethylpiperidine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(7S)-5-(1-ethylpiperidine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(7S)-5-(1-ethylpiperidine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide is CCN1CCC(C(=O)N2Cc3ccnn3[C@H](CNS(C)(=O)=O)C2)CC1.
What is the InChIKey of N-[[(7S)-5-(1-ethylpiperidine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide?
The InChIKey is MBJKNMGIDZDJQD-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H27N5O3S/c1-3-19-8-5-13(6-9-19)16(22)20-11-14-4-7-17-21(14)15(12-20)10-18-25(2,23)24/h4,7,13,15,18H,3,5-6,8-12H2,1-2H3/t15-/m1/s1.
What are the key properties of N-[[(7S)-5-(1-ethylpiperidine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide?
N-[[(7S)-5-(1-ethylpiperidine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide has a molecular weight of 369.49 g/mol, XLogP of 0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(7S)-5-(1-ethylpiperidine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide is sourced from PubChem (CID 124831076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).