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

C24H23N7O3 — CID 122639745

IUPAC4-(4-cyanophenyl)-2-[3-(dimethylcarbamoyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCN(C)C(=O)c1cccc(-c2nn3c(c2C(N)=O)C(c2ccc(C#N)cc2)N(C(N)=O)CC3)c1
InChIInChI=1S/C24H23N7O3/c1-29(2)23(33)17-5-3-4-16(12-17)19-18(22(26)32)21-20(15-8-6-14(13-25)7-9-15)30(24(27)34)10-11-31(21)28-19/h3-9,12,20H,10-11H2,1-2H3,(H2,26,32)(H2,27,34)
InChIKeyUBPCXRXWIQJMEW-UHFFFAOYSA-N
MW457.49 g/mol
LogP1.71
Rot. Bonds4

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

4-(4-cyanophenyl)-2-[3-(dimethylcarbamoyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 122639745) has the molecular formula C24H23N7O3 and a molecular weight of 457.49 g/mol. Its IUPAC name is 4-(4-cyanophenyl)-2-[3-(dimethylcarbamoyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name4-(4-cyanophenyl)-2-[3-(dimethylcarbamoyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID122639745
Molecular FormulaC24H23N7O3
Molecular Weight457.49 g/mol
Exact Mass457.19
IUPAC Name4-(4-cyanophenyl)-2-[3-(dimethylcarbamoyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCN(C)C(=O)c1cccc(-c2nn3c(c2C(N)=O)C(c2ccc(C#N)cc2)N(C(N)=O)CC3)c1
InChIInChI=1S/C24H23N7O3/c1-29(2)23(33)17-5-3-4-16(12-17)19-18(22(26)32)21-20(15-8-6-14(13-25)7-9-15)30(24(27)34)10-11-31(21)28-19/h3-9,12,20H,10-11H2,1-2H3,(H2,26,32)(H2,27,34)
InChIKeyUBPCXRXWIQJMEW-UHFFFAOYSA-N
XLogP1.71
TPSA151.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(4-cyanophenyl)-2-[3-(dimethylcarbamoyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
4-[3,5-bis(trifluoromethyl)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118060743
4-tert-butyl-2-(3-chloro-5-cyanophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118062554
3-(2,6-diamino-5-cyanopyrimidin-4-yl)-N,N-dimethylbenzamide
CID 169398285
4-(4,4-difluorocyclohexyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118062433
3-N-(4-cyanophenyl)-2-(3-methylsulfonylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122639718
(2R,6S)-11-(3-chlorophenyl)-7-N-(4-cyanophenyl)-4-oxa-1,7,12-triazatricyclo[7.3.0.02,6]dodeca-9,11-diene-7,10-dicarboxamide
CID 118085407
2-(3-chloro-4-fluorophenyl)-5-[[[3-(4-cyanophenyl)cyclobutyl]amino]-hydroxymethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 138749376
3-[4-[(2S,3S,4S)-2-cyano-1-(cyclopropanecarbonyl)-4-(hydroxymethyl)azetidin-3-yl]phenyl]-N,N-dimethylbenzamide
CID 54650047
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
3-(3-hydroxy-2-pyridinyl)-N,N-dimethylbenzamide
CID 53218059
5-N-(4-cyanophenyl)-2-(4-fluoro-3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122650856

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanophenyl)-2-[3-(dimethylcarbamoyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 4-(4-cyanophenyl)-2-[3-(dimethylcarbamoyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 122639745) is 4-(4-cyanophenyl)-2-[3-(dimethylcarbamoyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 4-(4-cyanophenyl)-2-[3-(dimethylcarbamoyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 4-(4-cyanophenyl)-2-[3-(dimethylcarbamoyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is CN(C)C(=O)c1cccc(-c2nn3c(c2C(N)=O)C(c2ccc(C#N)cc2)N(C(N)=O)CC3)c1.
What is the InChIKey of 4-(4-cyanophenyl)-2-[3-(dimethylcarbamoyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is UBPCXRXWIQJMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O3/c1-29(2)23(33)17-5-3-4-16(12-17)19-18(22(26)32)21-20(15-8-6-14(13-25)7-9-15)30(24(27)34)10-11-31(21)28-19/h3-9,12,20H,10-11H2,1-2H3,(H2,26,32)(H2,27,34).
What are the key properties of 4-(4-cyanophenyl)-2-[3-(dimethylcarbamoyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
4-(4-cyanophenyl)-2-[3-(dimethylcarbamoyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 457.49 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanophenyl)-2-[3-(dimethylcarbamoyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 122639745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).