2-chloro-N-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide

C23H21ClN4O2 — CID 91892830

IUPAC2-chloro-N-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide
SMILESCc1ccc(C)c(-c2cc3c(=O)n(CCNC(=O)c4ccccc4Cl)ccn3n2)c1
InChIInChI=1S/C23H21ClN4O2/c1-15-7-8-16(2)18(13-15)20-14-21-23(30)27(11-12-28(21)26-20)10-9-25-22(29)17-5-3-4-6-19(17)24/h3-8,11-14H,9-10H2,1-2H3,(H,25,29)
InChIKeyKQESKYNPEMUEOZ-UHFFFAOYSA-N
MW420.90 g/mol
LogP3.86
Rot. Bonds5

About 2-chloro-N-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide

2-chloro-N-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide (PubChem CID 91892830) has the molecular formula C23H21ClN4O2 and a molecular weight of 420.90 g/mol. Its IUPAC name is 2-chloro-N-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide
PubChem CID91892830
Molecular FormulaC23H21ClN4O2
Molecular Weight420.90 g/mol
Exact Mass420.14
IUPAC Name2-chloro-N-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide
SMILESCc1ccc(C)c(-c2cc3c(=O)n(CCNC(=O)c4ccccc4Cl)ccn3n2)c1
InChIInChI=1S/C23H21ClN4O2/c1-15-7-8-16(2)18(13-15)20-14-21-23(30)27(11-12-28(21)26-20)10-9-25-22(29)17-5-3-4-6-19(17)24/h3-8,11-14H,9-10H2,1-2H3,(H,25,29)
InChIKeyKQESKYNPEMUEOZ-UHFFFAOYSA-N
XLogP3.86
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide (CID 91892830) is 2-chloro-N-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide is Cc1ccc(C)c(-c2cc3c(=O)n(CCNC(=O)c4ccccc4Cl)ccn3n2)c1.
What is the InChIKey of 2-chloro-N-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide?
The InChIKey is KQESKYNPEMUEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2/c1-15-7-8-16(2)18(13-15)20-14-21-23(30)27(11-12-28(21)26-20)10-9-25-22(29)17-5-3-4-6-19(17)24/h3-8,11-14H,9-10H2,1-2H3,(H,25,29).
What are the key properties of 2-chloro-N-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide?
2-chloro-N-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide has a molecular weight of 420.90 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide is sourced from PubChem (CID 91892830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).