N,N-dimethyl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethanesulfonamide;6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine

C62H80N22O6S3 — CID 158222213

IUPACN,N-dimethyl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethanesulfonamide;6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CCCS(C)(=O)=O)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(CCS(=O)(=O)N(C)C)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(CCS(C)(=O)=O)c3)cn3nccc23)cn1
InChIInChI=1S/C21H28N8O2S.C21H27N7O2S.C20H25N7O2S/c1-5-18(6-2)28-14-17(12-24-28)21-20-7-8-22-29(20)15-19(25-21)16-11-23-27(13-16)9-10-32(30,31)26(3)4;1-4-18(5-2)27-14-17(12-24-27)21-20-7-8-22-28(20)15-19(25-21)16-11-23-26(13-16)9-6-10-31(3,29)30;1-4-17(5-2)26-13-16(11-23-26)20-19-6-7-21-27(19)14-18(24-20)15-10-22-25(12-15)8-9-30(3,28)29/h7-8,11-15,18H,5-6,9-10H2,1-4H3;7-8,11-15,18H,4-6,9-10H2,1-3H3;6-7,10-14,17H,4-5,8-9H2,1-3H3
InChIKeyGDJKGTNPOGDTCY-UHFFFAOYSA-N
MW1325.67 g/mol
LogP8.82
Rot. Bonds26

About N,N-dimethyl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethanesulfonamide;6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine

N,N-dimethyl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethanesulfonamide;6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine (PubChem CID 158222213) has the molecular formula C62H80N22O6S3 and a molecular weight of 1325.67 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethanesulfonamide;6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethanesulfonamide;6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
PubChem CID158222213
Molecular FormulaC62H80N22O6S3
Molecular Weight1325.67 g/mol
Exact Mass1324.58
IUPAC NameN,N-dimethyl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethanesulfonamide;6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CCCS(C)(=O)=O)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(CCS(=O)(=O)N(C)C)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(CCS(C)(=O)=O)c3)cn3nccc23)cn1
InChIInChI=1S/C21H28N8O2S.C21H27N7O2S.C20H25N7O2S/c1-5-18(6-2)28-14-17(12-24-28)21-20-7-8-22-29(20)15-19(25-21)16-11-23-27(13-16)9-10-32(30,31)26(3)4;1-4-18(5-2)27-14-17(12-24-27)21-20-7-8-22-28(20)15-19(25-21)16-11-23-26(13-16)9-6-10-31(3,29)30;1-4-17(5-2)26-13-16(11-23-26)20-19-6-7-21-27(19)14-18(24-20)15-10-22-25(12-15)8-9-30(3,28)29/h7-8,11-15,18H,5-6,9-10H2,1-4H3;7-8,11-15,18H,4-6,9-10H2,1-3H3;6-7,10-14,17H,4-5,8-9H2,1-3H3
InChIKeyGDJKGTNPOGDTCY-UHFFFAOYSA-N
XLogP8.82
TPSA303.15 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds26
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001325.67
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze N,N-dimethyl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethanesulfonamide;6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethanesulfonamide;6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of N,N-dimethyl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethanesulfonamide;6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine (CID 158222213) is N,N-dimethyl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethanesulfonamide;6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for N,N-dimethyl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethanesulfonamide;6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for N,N-dimethyl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethanesulfonamide;6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine is CCC(CC)n1cc(-c2nc(-c3cnn(CCCS(C)(=O)=O)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(CCS(=O)(=O)N(C)C)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(CCS(C)(=O)=O)c3)cn3nccc23)cn1.
What is the InChIKey of N,N-dimethyl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethanesulfonamide;6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The InChIKey is GDJKGTNPOGDTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N8O2S.C21H27N7O2S.C20H25N7O2S/c1-5-18(6-2)28-14-17(12-24-28)21-20-7-8-22-29(20)15-19(25-21)16-11-23-27(13-16)9-10-32(30,31)26(3)4;1-4-18(5-2)27-14-17(12-24-27)21-20-7-8-22-28(20)15-19(25-21)16-11-23-26(13-16)9-6-10-31(3,29)30;1-4-17(5-2)26-13-16(11-23-26)20-19-6-7-21-27(19)14-18(24-20)15-10-22-25(12-15)8-9-30(3,28)29/h7-8,11-15,18H,5-6,9-10H2,1-4H3;7-8,11-15,18H,4-6,9-10H2,1-3H3;6-7,10-14,17H,4-5,8-9H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethanesulfonamide;6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
N,N-dimethyl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethanesulfonamide;6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine has a molecular weight of 1325.67 g/mol, XLogP of 8.82, 26 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethanesulfonamide;6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 158222213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).