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

C23H21Cl2N7O2 — CID 122639844

IUPAC4-(3-chloro-4-cyanophenyl)-2-[3-chloro-5-(dimethylamino)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCN(C)c1cc(Cl)cc(-c2nn3c(c2C(N)=O)C(c2ccc(C#N)c(Cl)c2)N(C(N)=O)CC3)c1
InChIInChI=1S/C23H21Cl2N7O2/c1-30(2)16-8-14(7-15(24)10-16)19-18(22(27)33)21-20(12-3-4-13(11-26)17(25)9-12)31(23(28)34)5-6-32(21)29-19/h3-4,7-10,20H,5-6H2,1-2H3,(H2,27,33)(H2,28,34)
InChIKeyGEYWYIRFHOGEFC-UHFFFAOYSA-N
MW498.37 g/mol
LogP3.38
Rot. Bonds4

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

4-(3-chloro-4-cyanophenyl)-2-[3-chloro-5-(dimethylamino)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 122639844) has the molecular formula C23H21Cl2N7O2 and a molecular weight of 498.37 g/mol. Its IUPAC name is 4-(3-chloro-4-cyanophenyl)-2-[3-chloro-5-(dimethylamino)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name4-(3-chloro-4-cyanophenyl)-2-[3-chloro-5-(dimethylamino)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID122639844
Molecular FormulaC23H21Cl2N7O2
Molecular Weight498.37 g/mol
Exact Mass497.11
IUPAC Name4-(3-chloro-4-cyanophenyl)-2-[3-chloro-5-(dimethylamino)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCN(C)c1cc(Cl)cc(-c2nn3c(c2C(N)=O)C(c2ccc(C#N)c(Cl)c2)N(C(N)=O)CC3)c1
InChIInChI=1S/C23H21Cl2N7O2/c1-30(2)16-8-14(7-15(24)10-16)19-18(22(27)33)21-20(12-3-4-13(11-26)17(25)9-12)31(23(28)34)5-6-32(21)29-19/h3-4,7-10,20H,5-6H2,1-2H3,(H2,27,33)(H2,28,34)
InChIKeyGEYWYIRFHOGEFC-UHFFFAOYSA-N
XLogP3.38
TPSA134.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.37
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-chloro-4-cyanophenyl)-2-(3,5-dichloro-4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122639858
4-(4-cyanophenyl)-2-[3-(dimethylcarbamoyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122639745
4-tert-butyl-2-(3-chloro-5-cyanophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118062554
4-[3,5-bis(trifluoromethyl)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118060743
2-(3-chlorophenyl)-4-(4-fluorocuban-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118062763
2-(3-chloro-4-fluorophenyl)-4-(4-fluorocuban-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118062623
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
4-cyclobutyl-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118062431
4-tert-butyl-2-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118061783
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-(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
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 4-(3-chloro-4-cyanophenyl)-2-[3-chloro-5-(dimethylamino)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 4-(3-chloro-4-cyanophenyl)-2-[3-chloro-5-(dimethylamino)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 122639844) is 4-(3-chloro-4-cyanophenyl)-2-[3-chloro-5-(dimethylamino)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 4-(3-chloro-4-cyanophenyl)-2-[3-chloro-5-(dimethylamino)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 4-(3-chloro-4-cyanophenyl)-2-[3-chloro-5-(dimethylamino)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is CN(C)c1cc(Cl)cc(-c2nn3c(c2C(N)=O)C(c2ccc(C#N)c(Cl)c2)N(C(N)=O)CC3)c1.
What is the InChIKey of 4-(3-chloro-4-cyanophenyl)-2-[3-chloro-5-(dimethylamino)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is GEYWYIRFHOGEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N7O2/c1-30(2)16-8-14(7-15(24)10-16)19-18(22(27)33)21-20(12-3-4-13(11-26)17(25)9-12)31(23(28)34)5-6-32(21)29-19/h3-4,7-10,20H,5-6H2,1-2H3,(H2,27,33)(H2,28,34).
What are the key properties of 4-(3-chloro-4-cyanophenyl)-2-[3-chloro-5-(dimethylamino)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
4-(3-chloro-4-cyanophenyl)-2-[3-chloro-5-(dimethylamino)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 498.37 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-cyanophenyl)-2-[3-chloro-5-(dimethylamino)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 122639844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).