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

C21H19Cl2N5O3 — CID 118085583

IUPAC5-N-(3,4-dichlorophenyl)-2-(3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCOc1cccc(-c2nn3c(c2C(N)=O)CN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC3)c1
InChIInChI=1S/C21H19Cl2N5O3/c1-31-14-4-2-3-12(9-14)19-18(20(24)29)17-11-27(7-8-28(17)26-19)21(30)25-13-5-6-15(22)16(23)10-13/h2-6,9-10H,7-8,11H2,1H3,(H2,24,29)(H,25,30)
InChIKeyPLGFOFFMHLYACW-UHFFFAOYSA-N
MW460.32 g/mol
LogP4.01
Rot. Bonds4

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

5-N-(3,4-dichlorophenyl)-2-(3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118085583) has the molecular formula C21H19Cl2N5O3 and a molecular weight of 460.32 g/mol. Its IUPAC name is 5-N-(3,4-dichlorophenyl)-2-(3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(3,4-dichlorophenyl)-2-(3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118085583
Molecular FormulaC21H19Cl2N5O3
Molecular Weight460.32 g/mol
Exact Mass459.09
IUPAC Name5-N-(3,4-dichlorophenyl)-2-(3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCOc1cccc(-c2nn3c(c2C(N)=O)CN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC3)c1
InChIInChI=1S/C21H19Cl2N5O3/c1-31-14-4-2-3-12(9-14)19-18(20(24)29)17-11-27(7-8-28(17)26-19)21(30)25-13-5-6-15(22)16(23)10-13/h2-6,9-10H,7-8,11H2,1H3,(H2,24,29)(H,25,30)
InChIKeyPLGFOFFMHLYACW-UHFFFAOYSA-N
XLogP4.01
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.32
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenyl)-5-N-(3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118062081
2-(3-chlorophenyl)-5-N-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118061426
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-fluorophenyl)-5-N-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118061876
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-fluorophenyl)-5-N-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118062371
5-N-(2-chloro-4-fluorophenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118069163
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-(1-hydroxy-2-methylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118062214
5-N-(4-cyanophenyl)-2-(4-fluoro-3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122650856
2-(3-chloro-4-fluorophenyl)-5-N-(2,3-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122650830

Frequently Asked Questions

What is the IUPAC name of 5-N-(3,4-dichlorophenyl)-2-(3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 5-N-(3,4-dichlorophenyl)-2-(3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118085583) is 5-N-(3,4-dichlorophenyl)-2-(3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(3,4-dichlorophenyl)-2-(3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(3,4-dichlorophenyl)-2-(3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is COc1cccc(-c2nn3c(c2C(N)=O)CN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC3)c1.
What is the InChIKey of 5-N-(3,4-dichlorophenyl)-2-(3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is PLGFOFFMHLYACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N5O3/c1-31-14-4-2-3-12(9-14)19-18(20(24)29)17-11-27(7-8-28(17)26-19)21(30)25-13-5-6-15(22)16(23)10-13/h2-6,9-10H,7-8,11H2,1H3,(H2,24,29)(H,25,30).
What are the key properties of 5-N-(3,4-dichlorophenyl)-2-(3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
5-N-(3,4-dichlorophenyl)-2-(3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 460.32 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3,4-dichlorophenyl)-2-(3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118085583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).