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

C22H19ClN6O2 — CID 118085695

IUPAC2-(3-chlorophenyl)-5-N-(4-cyano-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCc1cc(NC(=O)N2CCn3nc(-c4cccc(Cl)c4)c(C(N)=O)c3C2)ccc1C#N
InChIInChI=1S/C22H19ClN6O2/c1-13-9-17(6-5-15(13)11-24)26-22(31)28-7-8-29-18(12-28)19(21(25)30)20(27-29)14-3-2-4-16(23)10-14/h2-6,9-10H,7-8,12H2,1H3,(H2,25,30)(H,26,31)
InChIKeyZKXGGGTZYFPCKE-UHFFFAOYSA-N
MW434.89 g/mol
LogP3.53
Rot. Bonds3

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

2-(3-chlorophenyl)-5-N-(4-cyano-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118085695) has the molecular formula C22H19ClN6O2 and a molecular weight of 434.89 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-N-(4-cyano-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-N-(4-cyano-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118085695
Molecular FormulaC22H19ClN6O2
Molecular Weight434.89 g/mol
Exact Mass434.13
IUPAC Name2-(3-chlorophenyl)-5-N-(4-cyano-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCc1cc(NC(=O)N2CCn3nc(-c4cccc(Cl)c4)c(C(N)=O)c3C2)ccc1C#N
InChIInChI=1S/C22H19ClN6O2/c1-13-9-17(6-5-15(13)11-24)26-22(31)28-7-8-29-18(12-28)19(21(25)30)20(27-29)14-3-2-4-16(23)10-14/h2-6,9-10H,7-8,12H2,1H3,(H2,25,30)(H,26,31)
InChIKeyZKXGGGTZYFPCKE-UHFFFAOYSA-N
XLogP3.53
TPSA117.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.89
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-N-(4-cyano-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 2-(3-chlorophenyl)-5-N-(4-cyano-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118085695) is 2-(3-chlorophenyl)-5-N-(4-cyano-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-5-N-(4-cyano-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-5-N-(4-cyano-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is Cc1cc(NC(=O)N2CCn3nc(-c4cccc(Cl)c4)c(C(N)=O)c3C2)ccc1C#N.
What is the InChIKey of 2-(3-chlorophenyl)-5-N-(4-cyano-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is ZKXGGGTZYFPCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN6O2/c1-13-9-17(6-5-15(13)11-24)26-22(31)28-7-8-29-18(12-28)19(21(25)30)20(27-29)14-3-2-4-16(23)10-14/h2-6,9-10H,7-8,12H2,1H3,(H2,25,30)(H,26,31).
What are the key properties of 2-(3-chlorophenyl)-5-N-(4-cyano-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
2-(3-chlorophenyl)-5-N-(4-cyano-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 434.89 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-N-(4-cyano-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118085695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).