2-(3-chlorophenyl)-4-(4-fluorocuban-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

C22H19ClFN5O2 — CID 118062763

IUPAC2-(3-chlorophenyl)-4-(4-fluorocuban-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(Cl)c2)nn2c1C(C13C4C5C1C1C3C4C51F)N(C(N)=O)CC2
InChIInChI=1S/C22H19ClFN5O2/c23-8-3-1-2-7(6-8)16-9(19(25)30)17-18(28(20(26)31)4-5-29(17)27-16)21-10-13-11(21)15-12(21)14(10)22(13,15)24/h1-3,6,10-15,18H,4-5H2,(H2,25,30)(H2,26,31)
InChIKeyMDFPZIJTYBXGQE-UHFFFAOYSA-N
MW439.88 g/mol
LogP2.20
Rot. Bonds3

About 2-(3-chlorophenyl)-4-(4-fluorocuban-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

2-(3-chlorophenyl)-4-(4-fluorocuban-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118062763) has the molecular formula C22H19ClFN5O2 and a molecular weight of 439.88 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-(4-fluorocuban-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-(4-fluorocuban-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118062763
Molecular FormulaC22H19ClFN5O2
Molecular Weight439.88 g/mol
Exact Mass439.12
IUPAC Name2-(3-chlorophenyl)-4-(4-fluorocuban-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(Cl)c2)nn2c1C(C13C4C5C1C1C3C4C51F)N(C(N)=O)CC2
InChIInChI=1S/C22H19ClFN5O2/c23-8-3-1-2-7(6-8)16-9(19(25)30)17-18(28(20(26)31)4-5-29(17)27-16)21-10-13-11(21)15-12(21)14(10)22(13,15)24/h1-3,6,10-15,18H,4-5H2,(H2,25,30)(H2,26,31)
InChIKeyMDFPZIJTYBXGQE-UHFFFAOYSA-N
XLogP2.20
TPSA107.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.88
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-fluorophenyl)-4-(4-fluorocuban-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118062623
4-[4-(difluoromethyl)-1-bicyclo[2.2.2]octanyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118062205
4-(4,4-difluorocyclohexyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118062433
4-cyclobutyl-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118062431
4-[3,5-bis(trifluoromethyl)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118060743
4-tert-butyl-2-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118061783
2-(3-chlorophenyl)-5-[3-(3,3-difluorocyclobutyl)-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 160903423
5-[2-(1-bicyclo[2.2.2]octanyl)acetyl]-2-(3-chlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 162034082
2-(3-chlorophenyl)-5-N-(3-fluoro-3-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118071183
2-(3-chlorophenyl)-5-[2-[1-(difluoromethyl)-3,3-difluorocyclobutyl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 157395804
4-tert-butyl-2-(3-chloro-5-cyanophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118062554
2-(3-chlorophenyl)-5-[4-fluoro-3-(fluoromethyl)-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 162100467

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-(4-fluorocuban-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 2-(3-chlorophenyl)-4-(4-fluorocuban-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118062763) is 2-(3-chlorophenyl)-4-(4-fluorocuban-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-4-(4-fluorocuban-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-4-(4-fluorocuban-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is NC(=O)c1c(-c2cccc(Cl)c2)nn2c1C(C13C4C5C1C1C3C4C51F)N(C(N)=O)CC2.
What is the InChIKey of 2-(3-chlorophenyl)-4-(4-fluorocuban-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is MDFPZIJTYBXGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN5O2/c23-8-3-1-2-7(6-8)16-9(19(25)30)17-18(28(20(26)31)4-5-29(17)27-16)21-10-13-11(21)15-12(21)14(10)22(13,15)24/h1-3,6,10-15,18H,4-5H2,(H2,25,30)(H2,26,31).
What are the key properties of 2-(3-chlorophenyl)-4-(4-fluorocuban-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
2-(3-chlorophenyl)-4-(4-fluorocuban-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 439.88 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-(4-fluorocuban-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118062763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).