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

C25H24ClFN6O2 — CID 122651004

IUPAC5-N-(3-tert-butyl-4-cyanophenyl)-2-(3-chloro-4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC(C)(C)c1cc(NC(=O)N2CCn3nc(-c4ccc(F)c(Cl)c4)c(C(N)=O)c3C2)ccc1C#N
InChIInChI=1S/C25H24ClFN6O2/c1-25(2,3)17-11-16(6-4-15(17)12-28)30-24(35)32-8-9-33-20(13-32)21(23(29)34)22(31-33)14-5-7-19(27)18(26)10-14/h4-7,10-11H,8-9,13H2,1-3H3,(H2,29,34)(H,30,35)
InChIKeyFHYSMHBPZJLTMK-UHFFFAOYSA-N
MW494.96 g/mol
LogP4.66
Rot. Bonds3

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

5-N-(3-tert-butyl-4-cyanophenyl)-2-(3-chloro-4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 122651004) has the molecular formula C25H24ClFN6O2 and a molecular weight of 494.96 g/mol. Its IUPAC name is 5-N-(3-tert-butyl-4-cyanophenyl)-2-(3-chloro-4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(3-tert-butyl-4-cyanophenyl)-2-(3-chloro-4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID122651004
Molecular FormulaC25H24ClFN6O2
Molecular Weight494.96 g/mol
Exact Mass494.16
IUPAC Name5-N-(3-tert-butyl-4-cyanophenyl)-2-(3-chloro-4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC(C)(C)c1cc(NC(=O)N2CCn3nc(-c4ccc(F)c(Cl)c4)c(C(N)=O)c3C2)ccc1C#N
InChIInChI=1S/C25H24ClFN6O2/c1-25(2,3)17-11-16(6-4-15(17)12-28)30-24(35)32-8-9-33-20(13-32)21(23(29)34)22(31-33)14-5-7-19(27)18(26)10-14/h4-7,10-11H,8-9,13H2,1-3H3,(H2,29,34)(H,30,35)
InChIKeyFHYSMHBPZJLTMK-UHFFFAOYSA-N
XLogP4.66
TPSA117.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.96
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 5-N-(3-tert-butyl-4-cyanophenyl)-2-(3-chloro-4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 5-N-(3-tert-butyl-4-cyanophenyl)-2-(3-chloro-4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 122651004) is 5-N-(3-tert-butyl-4-cyanophenyl)-2-(3-chloro-4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(3-tert-butyl-4-cyanophenyl)-2-(3-chloro-4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(3-tert-butyl-4-cyanophenyl)-2-(3-chloro-4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is CC(C)(C)c1cc(NC(=O)N2CCn3nc(-c4ccc(F)c(Cl)c4)c(C(N)=O)c3C2)ccc1C#N.
What is the InChIKey of 5-N-(3-tert-butyl-4-cyanophenyl)-2-(3-chloro-4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is FHYSMHBPZJLTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN6O2/c1-25(2,3)17-11-16(6-4-15(17)12-28)30-24(35)32-8-9-33-20(13-32)21(23(29)34)22(31-33)14-5-7-19(27)18(26)10-14/h4-7,10-11H,8-9,13H2,1-3H3,(H2,29,34)(H,30,35).
What are the key properties of 5-N-(3-tert-butyl-4-cyanophenyl)-2-(3-chloro-4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
5-N-(3-tert-butyl-4-cyanophenyl)-2-(3-chloro-4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 494.96 g/mol, XLogP of 4.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-tert-butyl-4-cyanophenyl)-2-(3-chloro-4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 122651004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).