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

C21H16Cl2N6O2 — CID 122650953

IUPAC5-N-(4-cyanophenyl)-2-(2,3-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESN#Cc1ccc(NC(=O)N2CCn3nc(-c4cccc(Cl)c4Cl)c(C(N)=O)c3C2)cc1
InChIInChI=1S/C21H16Cl2N6O2/c22-15-3-1-2-14(18(15)23)19-17(20(25)30)16-11-28(8-9-29(16)27-19)21(31)26-13-6-4-12(10-24)5-7-13/h1-7H,8-9,11H2,(H2,25,30)(H,26,31)
InChIKeyASOPBJNTRSKKET-UHFFFAOYSA-N
MW455.31 g/mol
LogP3.88
Rot. Bonds3

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

5-N-(4-cyanophenyl)-2-(2,3-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 122650953) has the molecular formula C21H16Cl2N6O2 and a molecular weight of 455.31 g/mol. Its IUPAC name is 5-N-(4-cyanophenyl)-2-(2,3-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(4-cyanophenyl)-2-(2,3-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID122650953
Molecular FormulaC21H16Cl2N6O2
Molecular Weight455.31 g/mol
Exact Mass454.07
IUPAC Name5-N-(4-cyanophenyl)-2-(2,3-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESN#Cc1ccc(NC(=O)N2CCn3nc(-c4cccc(Cl)c4Cl)c(C(N)=O)c3C2)cc1
InChIInChI=1S/C21H16Cl2N6O2/c22-15-3-1-2-14(18(15)23)19-17(20(25)30)16-11-28(8-9-29(16)27-19)21(31)26-13-6-4-12(10-24)5-7-13/h1-7H,8-9,11H2,(H2,25,30)(H,26,31)
InChIKeyASOPBJNTRSKKET-UHFFFAOYSA-N
XLogP3.88
TPSA117.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.31
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(4-cyanophenyl)-2-(4-fluoro-3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122650856
5-N-(3,4-dichlorophenyl)-2-(3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118085583
2-(3-fluorophenyl)-5-N-(4-phenylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118061928
2-(3,5-dichloro-4-fluorophenyl)-5-N-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118085506
2-(3-chlorophenyl)-5-N-[1-(4-cyanophenyl)-3,3-difluorocyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118071310
5-N-(4-cyano-3-methylphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118085544
2-(3-chlorophenyl)-5-N-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118061426
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
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
N-(4-cyanophenyl)-4-(2,6-dichlorophenyl)piperazine-1-carboxamide
CID 113114814
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
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

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-cyanophenyl)-2-(2,3-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 5-N-(4-cyanophenyl)-2-(2,3-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 122650953) is 5-N-(4-cyanophenyl)-2-(2,3-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(4-cyanophenyl)-2-(2,3-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(4-cyanophenyl)-2-(2,3-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is N#Cc1ccc(NC(=O)N2CCn3nc(-c4cccc(Cl)c4Cl)c(C(N)=O)c3C2)cc1.
What is the InChIKey of 5-N-(4-cyanophenyl)-2-(2,3-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is ASOPBJNTRSKKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N6O2/c22-15-3-1-2-14(18(15)23)19-17(20(25)30)16-11-28(8-9-29(16)27-19)21(31)26-13-6-4-12(10-24)5-7-13/h1-7H,8-9,11H2,(H2,25,30)(H,26,31).
What are the key properties of 5-N-(4-cyanophenyl)-2-(2,3-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
5-N-(4-cyanophenyl)-2-(2,3-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 455.31 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-cyanophenyl)-2-(2,3-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 122650953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).