2-(dimethylamino)-1-[5-(2-ethylpyrazol-3-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol

C15H24N6O3S — CID 91791102

IUPAC2-(dimethylamino)-1-[5-(2-ethylpyrazol-3-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
SMILESCCn1nccc1S(=O)(=O)N1CCn2nc(C(O)CN(C)C)cc2C1
InChIInChI=1S/C15H24N6O3S/c1-4-20-15(5-6-16-20)25(23,24)19-7-8-21-12(10-19)9-13(17-21)14(22)11-18(2)3/h5-6,9,14,22H,4,7-8,10-11H2,1-3H3
InChIKeyAJMIDSXZYCVWCH-UHFFFAOYSA-N
MW368.46 g/mol
LogP-0.10
Rot. Bonds6

About 2-(dimethylamino)-1-[5-(2-ethylpyrazol-3-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol

2-(dimethylamino)-1-[5-(2-ethylpyrazol-3-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol (PubChem CID 91791102) has the molecular formula C15H24N6O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[5-(2-ethylpyrazol-3-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol.

Molecular Properties

Compound Name2-(dimethylamino)-1-[5-(2-ethylpyrazol-3-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
PubChem CID91791102
Molecular FormulaC15H24N6O3S
Molecular Weight368.46 g/mol
Exact Mass368.16
IUPAC Name2-(dimethylamino)-1-[5-(2-ethylpyrazol-3-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
SMILESCCn1nccc1S(=O)(=O)N1CCn2nc(C(O)CN(C)C)cc2C1
InChIInChI=1S/C15H24N6O3S/c1-4-20-15(5-6-16-20)25(23,24)19-7-8-21-12(10-19)9-13(17-21)14(22)11-18(2)3/h5-6,9,14,22H,4,7-8,10-11H2,1-3H3
InChIKeyAJMIDSXZYCVWCH-UHFFFAOYSA-N
XLogP-0.10
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[5-(2-ethylpyrazol-3-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
CID 121499430
N-[[5-(2-ethylpyrazol-3-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
CID 122561253
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
[2-[2-(dimethylamino)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[2-(dimethylamino)-3-pyridinyl]methanone
CID 91836032
2-(dimethylamino)-1-[5-[(5-propylfuran-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol
CID 91790594
1-(2-ethylpyrazol-3-yl)sulfonyl-1,4-diazepane
CID 120706967
2-(dimethylamino)-1-(2-ethylpyrazol-3-yl)ethanol
CID 79087393
2-(dimethylamino)-1-[5-(1H-imidazol-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol
CID 90653916
1-[2-[2-[2-(dimethylamino)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl]pyridin-2-one
CID 91788695
5-[3-[2-[2-(dimethylamino)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-oxopropyl]-1,2-oxazol-3-one
CID 91779226
2-[2-[2-(dimethylamino)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 91767830
2-(dimethylamino)-1-[5-(5-ethyl-1,3,4-thiadiazol-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol
CID 91840158

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[5-(2-ethylpyrazol-3-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol?
The IUPAC name of 2-(dimethylamino)-1-[5-(2-ethylpyrazol-3-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol (CID 91791102) is 2-(dimethylamino)-1-[5-(2-ethylpyrazol-3-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol.
What is the SMILES notation for 2-(dimethylamino)-1-[5-(2-ethylpyrazol-3-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol?
The canonical SMILES for 2-(dimethylamino)-1-[5-(2-ethylpyrazol-3-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol is CCn1nccc1S(=O)(=O)N1CCn2nc(C(O)CN(C)C)cc2C1.
What is the InChIKey of 2-(dimethylamino)-1-[5-(2-ethylpyrazol-3-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol?
The InChIKey is AJMIDSXZYCVWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O3S/c1-4-20-15(5-6-16-20)25(23,24)19-7-8-21-12(10-19)9-13(17-21)14(22)11-18(2)3/h5-6,9,14,22H,4,7-8,10-11H2,1-3H3.
What are the key properties of 2-(dimethylamino)-1-[5-(2-ethylpyrazol-3-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol?
2-(dimethylamino)-1-[5-(2-ethylpyrazol-3-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol has a molecular weight of 368.46 g/mol, XLogP of -0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[5-(2-ethylpyrazol-3-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol is sourced from PubChem (CID 91791102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).