5-N-(1,3-benzothiazol-6-yl)-2-(3-chloro-4-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

C22H19ClN6O2S — CID 122650887

IUPAC5-N-(1,3-benzothiazol-6-yl)-2-(3-chloro-4-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCc1ccc(-c2nn3c(c2C(N)=O)CN(C(=O)Nc2ccc4ncsc4c2)CC3)cc1Cl
InChIInChI=1S/C22H19ClN6O2S/c1-12-2-3-13(8-15(12)23)20-19(21(24)30)17-10-28(6-7-29(17)27-20)22(31)26-14-4-5-16-18(9-14)32-11-25-16/h2-5,8-9,11H,6-7,10H2,1H3,(H2,24,30)(H,26,31)
InChIKeyIZORYSUFIJFULY-UHFFFAOYSA-N
MW466.95 g/mol
LogP4.27
Rot. Bonds3

About 5-N-(1,3-benzothiazol-6-yl)-2-(3-chloro-4-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

5-N-(1,3-benzothiazol-6-yl)-2-(3-chloro-4-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 122650887) has the molecular formula C22H19ClN6O2S and a molecular weight of 466.95 g/mol. Its IUPAC name is 5-N-(1,3-benzothiazol-6-yl)-2-(3-chloro-4-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(1,3-benzothiazol-6-yl)-2-(3-chloro-4-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID122650887
Molecular FormulaC22H19ClN6O2S
Molecular Weight466.95 g/mol
Exact Mass466.10
IUPAC Name5-N-(1,3-benzothiazol-6-yl)-2-(3-chloro-4-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCc1ccc(-c2nn3c(c2C(N)=O)CN(C(=O)Nc2ccc4ncsc4c2)CC3)cc1Cl
InChIInChI=1S/C22H19ClN6O2S/c1-12-2-3-13(8-15(12)23)20-19(21(24)30)17-10-28(6-7-29(17)27-20)22(31)26-14-4-5-16-18(9-14)32-11-25-16/h2-5,8-9,11H,6-7,10H2,1H3,(H2,24,30)(H,26,31)
InChIKeyIZORYSUFIJFULY-UHFFFAOYSA-N
XLogP4.27
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.95
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-N-(1,3-benzothiazol-6-yl)-2-(3-chloro-4-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide with MolForge

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Related Compounds

US9598423, Example 225
CID 118085577
US9598423, Example A53
CID 118085696
US9598423, Example 240
CID 122639752
US9598423, Example 238
CID 122639797
US9598423, Example 228
CID 122639866
US9598423, Example 241
CID 122650837
US9598423, Example 235
CID 122650978
US9598423, Example 149
CID 118069246
US9598423, Example 252
CID 122639799
US9598423, Example A46
CID 122650868
3-N-(1,3-benzothiazol-6-yl)-2-(3-fluoro-5-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122639677
4-(1,3-benzothiazol-6-yl)-2-(3-fluoro-5-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122639680

Frequently Asked Questions

What is the IUPAC name of 5-N-(1,3-benzothiazol-6-yl)-2-(3-chloro-4-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 5-N-(1,3-benzothiazol-6-yl)-2-(3-chloro-4-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 122650887) is 5-N-(1,3-benzothiazol-6-yl)-2-(3-chloro-4-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(1,3-benzothiazol-6-yl)-2-(3-chloro-4-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(1,3-benzothiazol-6-yl)-2-(3-chloro-4-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is Cc1ccc(-c2nn3c(c2C(N)=O)CN(C(=O)Nc2ccc4ncsc4c2)CC3)cc1Cl.
What is the InChIKey of 5-N-(1,3-benzothiazol-6-yl)-2-(3-chloro-4-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is IZORYSUFIJFULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN6O2S/c1-12-2-3-13(8-15(12)23)20-19(21(24)30)17-10-28(6-7-29(17)27-20)22(31)26-14-4-5-16-18(9-14)32-11-25-16/h2-5,8-9,11H,6-7,10H2,1H3,(H2,24,30)(H,26,31).
What are the key properties of 5-N-(1,3-benzothiazol-6-yl)-2-(3-chloro-4-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
5-N-(1,3-benzothiazol-6-yl)-2-(3-chloro-4-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 466.95 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1,3-benzothiazol-6-yl)-2-(3-chloro-4-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 122650887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).