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

C22H21BrClN5O2 — CID 123319642

IUPAC5-N-(3-bromo-4-methylphenyl)-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)Nc2ccc(C)c(Br)c2)CC3)cc1Cl
InChIInChI=1S/C22H21BrClN5O2/c1-12-4-6-15(10-16(12)23)26-22(31)28-7-8-29-18(11-28)19(21(25)30)20(27-29)14-5-3-13(2)17(24)9-14/h3-6,9-10H,7-8,11H2,1-2H3,(H2,25,30)(H,26,31)
InChIKeyMYXFIANGIZJFBL-UHFFFAOYSA-N
MW502.80 g/mol
LogP4.73
Rot. Bonds3

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

5-N-(3-bromo-4-methylphenyl)-2-(3-chloro-4-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 123319642) has the molecular formula C22H21BrClN5O2 and a molecular weight of 502.80 g/mol. Its IUPAC name is 5-N-(3-bromo-4-methylphenyl)-2-(3-chloro-4-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(3-bromo-4-methylphenyl)-2-(3-chloro-4-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID123319642
Molecular FormulaC22H21BrClN5O2
Molecular Weight502.80 g/mol
Exact Mass501.06
IUPAC Name5-N-(3-bromo-4-methylphenyl)-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)Nc2ccc(C)c(Br)c2)CC3)cc1Cl
InChIInChI=1S/C22H21BrClN5O2/c1-12-4-6-15(10-16(12)23)26-22(31)28-7-8-29-18(11-28)19(21(25)30)20(27-29)14-5-3-13(2)17(24)9-14/h3-6,9-10H,7-8,11H2,1-2H3,(H2,25,30)(H,26,31)
InChIKeyMYXFIANGIZJFBL-UHFFFAOYSA-N
XLogP4.73
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.80
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
5-N-(3,4-dichlorophenyl)-2-(3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118085583
2-(3-chlorophenyl)-5-N-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118061426
2-(3-chlorophenyl)-5-N-(3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118062081
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-(3-fluorophenyl)-5-N-(4-phenylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118061928
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
2-(3-chloro-4-methylphenyl)-5-[hydroxy-[4-(trifluoromethyl)anilino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 126703571
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-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-(2,3-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122650830
3-N-(4-cyano-3-methylphenyl)-2-(3,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122639678

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-bromo-4-methylphenyl)-2-(3-chloro-4-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 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) is 5-N-(3-bromo-4-methylphenyl)-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-(3-bromo-4-methylphenyl)-2-(3-chloro-4-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(3-bromo-4-methylphenyl)-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)Nc2ccc(C)c(Br)c2)CC3)cc1Cl.
What is the InChIKey of 5-N-(3-bromo-4-methylphenyl)-2-(3-chloro-4-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is MYXFIANGIZJFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrClN5O2/c1-12-4-6-15(10-16(12)23)26-22(31)28-7-8-29-18(11-28)19(21(25)30)20(27-29)14-5-3-13(2)17(24)9-14/h3-6,9-10H,7-8,11H2,1-2H3,(H2,25,30)(H,26,31).
What are the key properties of 5-N-(3-bromo-4-methylphenyl)-2-(3-chloro-4-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
5-N-(3-bromo-4-methylphenyl)-2-(3-chloro-4-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 502.80 g/mol, XLogP of 4.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-bromo-4-methylphenyl)-2-(3-chloro-4-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 123319642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).