methyl 5-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate

C13H16ClN5O4S — CID 50977050

IUPACmethyl 5-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCOC(=O)c1cc2n(n1)CCN(S(=O)(=O)c1c(C)nn(C)c1Cl)C2
InChIInChI=1S/C13H16ClN5O4S/c1-8-11(12(14)17(2)15-8)24(21,22)18-4-5-19-9(7-18)6-10(16-19)13(20)23-3/h6H,4-5,7H2,1-3H3
InChIKeyDHGMGWNLWHIJEV-UHFFFAOYSA-N
MW373.82 g/mol
LogP0.57
Rot. Bonds3

About methyl 5-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate

methyl 5-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 50977050) has the molecular formula C13H16ClN5O4S and a molecular weight of 373.82 g/mol. Its IUPAC name is methyl 5-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
PubChem CID50977050
Molecular FormulaC13H16ClN5O4S
Molecular Weight373.82 g/mol
Exact Mass373.06
IUPAC Namemethyl 5-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCOC(=O)c1cc2n(n1)CCN(S(=O)(=O)c1c(C)nn(C)c1Cl)C2
InChIInChI=1S/C13H16ClN5O4S/c1-8-11(12(14)17(2)15-8)24(21,22)18-4-5-19-9(7-18)6-10(16-19)13(20)23-3/h6H,4-5,7H2,1-3H3
InChIKeyDHGMGWNLWHIJEV-UHFFFAOYSA-N
XLogP0.57
TPSA99.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 5-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 50955292
methyl 5-(4-ethylpiperazin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 50985191
methyl 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-2-carboxylate
CID 4990872
methyl 5-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 50981175
1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-[(3-chlorophenyl)methyl]piperazine
CID 55907011
4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylthiomorpholine
CID 3868687
1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-hydroxypiperidine-4-carboxylic acid
CID 56875241
1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 55913799
(2,4-dichlorophenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 53078832
1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-chlorophenyl)piperidin-4-ol
CID 2777780
(3R,4R)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(hydroxymethyl)piperidin-3-ol
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Frequently Asked Questions

What is the IUPAC name of methyl 5-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 50977050) is methyl 5-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate is COC(=O)c1cc2n(n1)CCN(S(=O)(=O)c1c(C)nn(C)c1Cl)C2.
What is the InChIKey of methyl 5-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The InChIKey is DHGMGWNLWHIJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O4S/c1-8-11(12(14)17(2)15-8)24(21,22)18-4-5-19-9(7-18)6-10(16-19)13(20)23-3/h6H,4-5,7H2,1-3H3.
What are the key properties of methyl 5-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
methyl 5-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 373.82 g/mol, XLogP of 0.57, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 50977050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).