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

C22H18Cl2N6O2 — CID 122639678

IUPAC3-N-(4-cyano-3-methylphenyl)-2-(3,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCc1cc(NC(=O)c2c(-c3ccc(Cl)c(Cl)c3)nn3c2CN(C(N)=O)CC3)ccc1C#N
InChIInChI=1S/C22H18Cl2N6O2/c1-12-8-15(4-2-14(12)10-25)27-21(31)19-18-11-29(22(26)32)6-7-30(18)28-20(19)13-3-5-16(23)17(24)9-13/h2-5,8-9H,6-7,11H2,1H3,(H2,26,32)(H,27,31)
InChIKeyWMBZHYREQGFCLZ-UHFFFAOYSA-N
MW469.33 g/mol
LogP4.18
Rot. Bonds3

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

3-N-(4-cyano-3-methylphenyl)-2-(3,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 122639678) has the molecular formula C22H18Cl2N6O2 and a molecular weight of 469.33 g/mol. Its IUPAC name is 3-N-(4-cyano-3-methylphenyl)-2-(3,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-(4-cyano-3-methylphenyl)-2-(3,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID122639678
Molecular FormulaC22H18Cl2N6O2
Molecular Weight469.33 g/mol
Exact Mass468.09
IUPAC Name3-N-(4-cyano-3-methylphenyl)-2-(3,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCc1cc(NC(=O)c2c(-c3ccc(Cl)c(Cl)c3)nn3c2CN(C(N)=O)CC3)ccc1C#N
InChIInChI=1S/C22H18Cl2N6O2/c1-12-8-15(4-2-14(12)10-25)27-21(31)19-18-11-29(22(26)32)6-7-30(18)28-20(19)13-3-5-16(23)17(24)9-13/h2-5,8-9H,6-7,11H2,1H3,(H2,26,32)(H,27,31)
InChIKeyWMBZHYREQGFCLZ-UHFFFAOYSA-N
XLogP4.18
TPSA117.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.33
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(4-cyano-3-methylphenyl)-2-(4-fluoro-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122639726
3-N-(4-cyano-3-fluorophenyl)-2-(3-fluoro-5-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122639783
3-N-(3-chloro-4-cyanophenyl)-2-(4-fluoro-2-methylindazol-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122639679
2-(7-chloro-1,3-dimethylindazol-5-yl)-3-N-(4-cyanophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122639788
2-(7-chloro-2-methyl-1,3-benzoxazol-5-yl)-5-N-(4-cyano-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118085587
5-N-(4-cyano-3-methylphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118085544
5-N-(3-bromo-4-methylphenyl)-2-(3-chloro-4-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 123319642
2-(3-chloro-4-fluorophenyl)-5-N-(4-cyano-3-cyclopropylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118085690
3-N-(1,3-benzothiazol-6-yl)-2-(4-fluoro-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122639820
5-N-(3-chloro-4-cyanophenyl)-2-(7-chloro-3-methyl-2H-indazol-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122650896
2-(3-chloro-4-fluorophenyl)-5-N-(4-cyano-3-morpholin-4-ylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122650874
5-N-(3,4-dichlorophenyl)-2-(3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118085583

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-cyano-3-methylphenyl)-2-(3,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 3-N-(4-cyano-3-methylphenyl)-2-(3,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 122639678) is 3-N-(4-cyano-3-methylphenyl)-2-(3,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-(4-cyano-3-methylphenyl)-2-(3,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 3-N-(4-cyano-3-methylphenyl)-2-(3,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is Cc1cc(NC(=O)c2c(-c3ccc(Cl)c(Cl)c3)nn3c2CN(C(N)=O)CC3)ccc1C#N.
What is the InChIKey of 3-N-(4-cyano-3-methylphenyl)-2-(3,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is WMBZHYREQGFCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N6O2/c1-12-8-15(4-2-14(12)10-25)27-21(31)19-18-11-29(22(26)32)6-7-30(18)28-20(19)13-3-5-16(23)17(24)9-13/h2-5,8-9H,6-7,11H2,1H3,(H2,26,32)(H,27,31).
What are the key properties of 3-N-(4-cyano-3-methylphenyl)-2-(3,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
3-N-(4-cyano-3-methylphenyl)-2-(3,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 469.33 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-cyano-3-methylphenyl)-2-(3,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 122639678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).