N-[2-[(7S)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanesulfonamide

C16H22N4O2S2 — CID 124779060

IUPACN-[2-[(7S)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCC[C@H]1CN(Cc2cccs2)Cc2ccnn21)C1CC1
InChIInChI=1S/C16H22N4O2S2/c21-24(22,16-3-4-16)18-8-6-14-11-19(12-15-2-1-9-23-15)10-13-5-7-17-20(13)14/h1-2,5,7,9,14,16,18H,3-4,6,8,10-12H2/t14-/m0/s1
InChIKeyAYXUHYHKTQHLAQ-AWEZNQCLSA-N
MW366.51 g/mol
LogP1.97
Rot. Bonds7

About N-[2-[(7S)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanesulfonamide

N-[2-[(7S)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanesulfonamide (PubChem CID 124779060) has the molecular formula C16H22N4O2S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[2-[(7S)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-[(7S)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanesulfonamide
PubChem CID124779060
Molecular FormulaC16H22N4O2S2
Molecular Weight366.51 g/mol
Exact Mass366.12
IUPAC NameN-[2-[(7S)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCC[C@H]1CN(Cc2cccs2)Cc2ccnn21)C1CC1
InChIInChI=1S/C16H22N4O2S2/c21-24(22,16-3-4-16)18-8-6-14-11-19(12-15-2-1-9-23-15)10-13-5-7-17-20(13)14/h1-2,5,7,9,14,16,18H,3-4,6,8,10-12H2/t14-/m0/s1
InChIKeyAYXUHYHKTQHLAQ-AWEZNQCLSA-N
XLogP1.97
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanesulfonamide
CID 131647263
N-[2-[(7R)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]ethanesulfonamide
CID 124895830
N-[2-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]cyclopropanesulfonamide
CID 131677839
N-[2-[5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrolidine-1-carboxamide
CID 131677993
N-[2-[5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
CID 171695506
(7S)-7-[2-(cyclopropylmethoxy)ethyl]-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 124790492
N-[2-[5-(cyclobutylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
CID 155863961
N-(oxan-4-ylmethyl)-2-[(7R)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
CID 124794962
N-[2-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]ethanesulfonamide
CID 131678181
N-[[5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]cyclopropanesulfonamide
CID 131677919
N-[2-[(5S)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide
CID 124783643
N-[2-[5-[(2-methoxy-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide
CID 131642351

Frequently Asked Questions

What is the IUPAC name of N-[2-[(7S)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanesulfonamide?
The IUPAC name of N-[2-[(7S)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanesulfonamide (CID 124779060) is N-[2-[(7S)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-[(7S)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-[(7S)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanesulfonamide is O=S(=O)(NCC[C@H]1CN(Cc2cccs2)Cc2ccnn21)C1CC1.
What is the InChIKey of N-[2-[(7S)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanesulfonamide?
The InChIKey is AYXUHYHKTQHLAQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N4O2S2/c21-24(22,16-3-4-16)18-8-6-14-11-19(12-15-2-1-9-23-15)10-13-5-7-17-20(13)14/h1-2,5,7,9,14,16,18H,3-4,6,8,10-12H2/t14-/m0/s1.
What are the key properties of N-[2-[(7S)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanesulfonamide?
N-[2-[(7S)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanesulfonamide has a molecular weight of 366.51 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(7S)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanesulfonamide is sourced from PubChem (CID 124779060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).