5-[[2-[(1R)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]sulfonyl]thiophene-3-carboxamide

C13H16N4O5S2 — CID 99970097

IUPAC5-[[2-[(1R)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]sulfonyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(S(=O)(=O)N2CCn3nc([C@@H](O)CO)cc3C2)c1
InChIInChI=1S/C13H16N4O5S2/c14-13(20)8-3-12(23-7-8)24(21,22)16-1-2-17-9(5-16)4-10(15-17)11(19)6-18/h3-4,7,11,18-19H,1-2,5-6H2,(H2,14,20)/t11-/m0/s1
InChIKeyWWKPMLAAMUSOLL-NSHDSACASA-N
MW372.43 g/mol
LogP-0.73
Rot. Bonds5

About 5-[[2-[(1R)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]sulfonyl]thiophene-3-carboxamide

5-[[2-[(1R)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]sulfonyl]thiophene-3-carboxamide (PubChem CID 99970097) has the molecular formula C13H16N4O5S2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 5-[[2-[(1R)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]sulfonyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[2-[(1R)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]sulfonyl]thiophene-3-carboxamide
PubChem CID99970097
Molecular FormulaC13H16N4O5S2
Molecular Weight372.43 g/mol
Exact Mass372.06
IUPAC Name5-[[2-[(1R)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]sulfonyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(S(=O)(=O)N2CCn3nc([C@@H](O)CO)cc3C2)c1
InChIInChI=1S/C13H16N4O5S2/c14-13(20)8-3-12(23-7-8)24(21,22)16-1-2-17-9(5-16)4-10(15-17)11(19)6-18/h3-4,7,11,18-19H,1-2,5-6H2,(H2,14,20)/t11-/m0/s1
InChIKeyWWKPMLAAMUSOLL-NSHDSACASA-N
XLogP-0.73
TPSA138.75 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5-[[2-(1-hydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]sulfonyl]thiophene-3-carboxamide
CID 91762643
4-[3-[2-[(1S)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propoxy]benzamide
CID 99976509
[2-[(1R)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-([1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone
CID 99971443
1-[5-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol
CID 91778732
3-[2-(1,2-dihydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N,N-dimethylpropane-1-sulfonamide
CID 91779057
1-(4-carbamoylthiophen-2-yl)sulfonyl-N-ethylpyrrolidine-3-carboxamide
CID 131920678
1,3-benzothiazol-6-yl-[2-[(1S)-1,2-dihydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 99973939
1-[5-(3-methylsulfanylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol
CID 90650107
2-(dimethylamino)-1-[5-(2-ethylpyrazol-3-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
CID 91791102
[4-[2-[(1S)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 99996205
[5-(azepan-1-ylsulfonyl)thiophen-3-yl]-piperidin-1-ylmethanone
CID 50777756
[2-(1,2-dihydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(2-methyl-1,3-benzothiazol-5-yl)methanone
CID 91763529

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(1R)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]sulfonyl]thiophene-3-carboxamide?
The IUPAC name of 5-[[2-[(1R)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]sulfonyl]thiophene-3-carboxamide (CID 99970097) is 5-[[2-[(1R)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]sulfonyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[[2-[(1R)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]sulfonyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[[2-[(1R)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]sulfonyl]thiophene-3-carboxamide is NC(=O)c1csc(S(=O)(=O)N2CCn3nc([C@@H](O)CO)cc3C2)c1.
What is the InChIKey of 5-[[2-[(1R)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]sulfonyl]thiophene-3-carboxamide?
The InChIKey is WWKPMLAAMUSOLL-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N4O5S2/c14-13(20)8-3-12(23-7-8)24(21,22)16-1-2-17-9(5-16)4-10(15-17)11(19)6-18/h3-4,7,11,18-19H,1-2,5-6H2,(H2,14,20)/t11-/m0/s1.
What are the key properties of 5-[[2-[(1R)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]sulfonyl]thiophene-3-carboxamide?
5-[[2-[(1R)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]sulfonyl]thiophene-3-carboxamide has a molecular weight of 372.43 g/mol, XLogP of -0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(1R)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]sulfonyl]thiophene-3-carboxamide is sourced from PubChem (CID 99970097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).