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

C24H20ClF4N5O2 — CID 118061732

IUPAC2-(3-chloro-4-fluorophenyl)-5-N-[3,3-difluoro-1-(4-fluorophenyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2ccc(F)c(Cl)c2)nn2c1CN(C(=O)NC1(c3ccc(F)cc3)CC(F)(F)C1)CC2
InChIInChI=1S/C24H20ClF4N5O2/c25-16-9-13(1-6-17(16)27)20-19(21(30)35)18-10-33(7-8-34(18)32-20)22(36)31-23(11-24(28,29)12-23)14-2-4-15(26)5-3-14/h1-6,9H,7-8,10-12H2,(H2,30,35)(H,31,36)
InChIKeyMOGLBIJQGBUELJ-UHFFFAOYSA-N
MW521.90 g/mol
LogP4.43
Rot. Bonds4

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

2-(3-chloro-4-fluorophenyl)-5-N-[3,3-difluoro-1-(4-fluorophenyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118061732) has the molecular formula C24H20ClF4N5O2 and a molecular weight of 521.90 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-5-N-[3,3-difluoro-1-(4-fluorophenyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-5-N-[3,3-difluoro-1-(4-fluorophenyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118061732
Molecular FormulaC24H20ClF4N5O2
Molecular Weight521.90 g/mol
Exact Mass521.12
IUPAC Name2-(3-chloro-4-fluorophenyl)-5-N-[3,3-difluoro-1-(4-fluorophenyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2ccc(F)c(Cl)c2)nn2c1CN(C(=O)NC1(c3ccc(F)cc3)CC(F)(F)C1)CC2
InChIInChI=1S/C24H20ClF4N5O2/c25-16-9-13(1-6-17(16)27)20-19(21(30)35)18-10-33(7-8-34(18)32-20)22(36)31-23(11-24(28,29)12-23)14-2-4-15(26)5-3-14/h1-6,9H,7-8,10-12H2,(H2,30,35)(H,31,36)
InChIKeyMOGLBIJQGBUELJ-UHFFFAOYSA-N
XLogP4.43
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.90
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-chloro-4-fluorophenyl)-5-N-[3,3-difluoro-1-(4-fluorophenyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide with MolForge

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Related Compounds

2-(3-chloro-4-fluorophenyl)-5-N-(3-fluoro-1,3-dimethylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118061452
2-(3-chloro-4-fluorophenyl)-5-N-(1-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 123662925
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
2-(3-chloro-4-fluorophenyl)-5-N-(5-methylspiro[2.3]hexan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118061757
2-(3-chloro-4-fluorophenyl)-5-N-(1,3,7,7-tetramethyl-3-bicyclo[3.3.1]nonanyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 138749470
2-(3-chloro-4-fluorophenyl)-5-N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 138749230
2-(3-chloro-4-fluorophenyl)-5-N-(2,3-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122650830
2-(3-chloro-4-fluorophenyl)-5-N-(3-methylsulfonylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118061980
2-(3-chloro-4-fluorophenyl)-5-N-(4-fluoro-2-methylpentan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118087454
2-(3-chloro-4-fluorophenyl)-5-N-[2-methyl-1-oxo-1-(propan-2-ylamino)propan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118071142
5-amino-2-(3-chloro-4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 144845127
2-(3-chloro-4-fluorophenyl)-5-[2-(4-fluoro-1-bicyclo[2.2.2]octanyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 160506733

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-5-N-[3,3-difluoro-1-(4-fluorophenyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-5-N-[3,3-difluoro-1-(4-fluorophenyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118061732) is 2-(3-chloro-4-fluorophenyl)-5-N-[3,3-difluoro-1-(4-fluorophenyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-5-N-[3,3-difluoro-1-(4-fluorophenyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-5-N-[3,3-difluoro-1-(4-fluorophenyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is NC(=O)c1c(-c2ccc(F)c(Cl)c2)nn2c1CN(C(=O)NC1(c3ccc(F)cc3)CC(F)(F)C1)CC2.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-5-N-[3,3-difluoro-1-(4-fluorophenyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is MOGLBIJQGBUELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF4N5O2/c25-16-9-13(1-6-17(16)27)20-19(21(30)35)18-10-33(7-8-34(18)32-20)22(36)31-23(11-24(28,29)12-23)14-2-4-15(26)5-3-14/h1-6,9H,7-8,10-12H2,(H2,30,35)(H,31,36).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-5-N-[3,3-difluoro-1-(4-fluorophenyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
2-(3-chloro-4-fluorophenyl)-5-N-[3,3-difluoro-1-(4-fluorophenyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 521.90 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-5-N-[3,3-difluoro-1-(4-fluorophenyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118061732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).