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

C19H19ClF3N5O2 — CID 118061484

IUPAC2-(3-chloro-4-fluorophenyl)-5-N-(3,3-difluoro-1-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC1(NC(=O)N2CCn3nc(-c4ccc(F)c(Cl)c4)c(C(N)=O)c3C2)CC(F)(F)C1
InChIInChI=1S/C19H19ClF3N5O2/c1-18(8-19(22,23)9-18)25-17(30)27-4-5-28-13(7-27)14(16(24)29)15(26-28)10-2-3-12(21)11(20)6-10/h2-3,6H,4-5,7-9H2,1H3,(H2,24,29)(H,25,30)
InChIKeyTZYQHXAYEKDGTA-UHFFFAOYSA-N
MW441.84 g/mol
LogP3.15
Rot. Bonds3

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

2-(3-chloro-4-fluorophenyl)-5-N-(3,3-difluoro-1-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118061484) has the molecular formula C19H19ClF3N5O2 and a molecular weight of 441.84 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-5-N-(3,3-difluoro-1-methylcyclobutyl)-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-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118061484
Molecular FormulaC19H19ClF3N5O2
Molecular Weight441.84 g/mol
Exact Mass441.12
IUPAC Name2-(3-chloro-4-fluorophenyl)-5-N-(3,3-difluoro-1-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC1(NC(=O)N2CCn3nc(-c4ccc(F)c(Cl)c4)c(C(N)=O)c3C2)CC(F)(F)C1
InChIInChI=1S/C19H19ClF3N5O2/c1-18(8-19(22,23)9-18)25-17(30)27-4-5-28-13(7-27)14(16(24)29)15(26-28)10-2-3-12(21)11(20)6-10/h2-3,6H,4-5,7-9H2,1H3,(H2,24,29)(H,25,30)
InChIKeyTZYQHXAYEKDGTA-UHFFFAOYSA-N
XLogP3.15
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.84
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-chloro-4-fluorophenyl)-5-N-(3,3-difluoro-1-methylcyclobutyl)-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 2-(3-chloro-4-fluorophenyl)-5-N-(3,3-difluoro-1-methylcyclobutyl)-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-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118061484) is 2-(3-chloro-4-fluorophenyl)-5-N-(3,3-difluoro-1-methylcyclobutyl)-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-methylcyclobutyl)-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-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is CC1(NC(=O)N2CCn3nc(-c4ccc(F)c(Cl)c4)c(C(N)=O)c3C2)CC(F)(F)C1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-5-N-(3,3-difluoro-1-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is TZYQHXAYEKDGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N5O2/c1-18(8-19(22,23)9-18)25-17(30)27-4-5-28-13(7-27)14(16(24)29)15(26-28)10-2-3-12(21)11(20)6-10/h2-3,6H,4-5,7-9H2,1H3,(H2,24,29)(H,25,30).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-5-N-(3,3-difluoro-1-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
2-(3-chloro-4-fluorophenyl)-5-N-(3,3-difluoro-1-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 441.84 g/mol, XLogP of 3.15, 3 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-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118061484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).