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

C20H20ClF3N4O2 — CID 158961347

IUPAC2-(4-chloro-3-fluorophenyl)-5-[2-(3,3-difluoro-1-methylcyclobutyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCC1(CC(=O)N2CCn3nc(-c4ccc(Cl)c(F)c4)c(C(N)=O)c3C2)CC(F)(F)C1
InChIInChI=1S/C20H20ClF3N4O2/c1-19(9-20(23,24)10-19)7-15(29)27-4-5-28-14(8-27)16(18(25)30)17(26-28)11-2-3-12(21)13(22)6-11/h2-3,6H,4-5,7-10H2,1H3,(H2,25,30)
InChIKeyJMQYJOQUIHWUTO-UHFFFAOYSA-N
MW440.85 g/mol
LogP3.61
Rot. Bonds4

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

2-(4-chloro-3-fluorophenyl)-5-[2-(3,3-difluoro-1-methylcyclobutyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 158961347) has the molecular formula C20H20ClF3N4O2 and a molecular weight of 440.85 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-5-[2-(3,3-difluoro-1-methylcyclobutyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-5-[2-(3,3-difluoro-1-methylcyclobutyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID158961347
Molecular FormulaC20H20ClF3N4O2
Molecular Weight440.85 g/mol
Exact Mass440.12
IUPAC Name2-(4-chloro-3-fluorophenyl)-5-[2-(3,3-difluoro-1-methylcyclobutyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCC1(CC(=O)N2CCn3nc(-c4ccc(Cl)c(F)c4)c(C(N)=O)c3C2)CC(F)(F)C1
InChIInChI=1S/C20H20ClF3N4O2/c1-19(9-20(23,24)10-19)7-15(29)27-4-5-28-14(8-27)16(18(25)30)17(26-28)11-2-3-12(21)13(22)6-11/h2-3,6H,4-5,7-10H2,1H3,(H2,25,30)
InChIKeyJMQYJOQUIHWUTO-UHFFFAOYSA-N
XLogP3.61
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.85
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-5-[2-(3,3-difluoro-1-methylcyclobutyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-5-[2-(3,3-difluoro-1-methylcyclobutyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide (CID 158961347) is 2-(4-chloro-3-fluorophenyl)-5-[2-(3,3-difluoro-1-methylcyclobutyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-5-[2-(3,3-difluoro-1-methylcyclobutyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-5-[2-(3,3-difluoro-1-methylcyclobutyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide is CC1(CC(=O)N2CCn3nc(-c4ccc(Cl)c(F)c4)c(C(N)=O)c3C2)CC(F)(F)C1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-5-[2-(3,3-difluoro-1-methylcyclobutyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is JMQYJOQUIHWUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF3N4O2/c1-19(9-20(23,24)10-19)7-15(29)27-4-5-28-14(8-27)16(18(25)30)17(26-28)11-2-3-12(21)13(22)6-11/h2-3,6H,4-5,7-10H2,1H3,(H2,25,30).
What are the key properties of 2-(4-chloro-3-fluorophenyl)-5-[2-(3,3-difluoro-1-methylcyclobutyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
2-(4-chloro-3-fluorophenyl)-5-[2-(3,3-difluoro-1-methylcyclobutyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 440.85 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-5-[2-(3,3-difluoro-1-methylcyclobutyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 158961347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).