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

C22H18ClF2N5O2 — CID 118062623

IUPAC2-(3-chloro-4-fluorophenyl)-4-(4-fluorocuban-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2ccc(F)c(Cl)c2)nn2c1C(C13C4C5C1C1C3C4C51F)N(C(N)=O)CC2
InChIInChI=1S/C22H18ClF2N5O2/c23-7-5-6(1-2-8(7)24)16-9(19(26)31)17-18(29(20(27)32)3-4-30(17)28-16)21-10-13-11(21)15-12(21)14(10)22(13,15)25/h1-2,5,10-15,18H,3-4H2,(H2,26,31)(H2,27,32)
InChIKeyXUCVNJXZEOSATC-UHFFFAOYSA-N
MW457.87 g/mol
LogP2.34
Rot. Bonds3

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

2-(3-chloro-4-fluorophenyl)-4-(4-fluorocuban-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118062623) has the molecular formula C22H18ClF2N5O2 and a molecular weight of 457.87 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-4-(4-fluorocuban-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-4-(4-fluorocuban-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118062623
Molecular FormulaC22H18ClF2N5O2
Molecular Weight457.87 g/mol
Exact Mass457.11
IUPAC Name2-(3-chloro-4-fluorophenyl)-4-(4-fluorocuban-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2ccc(F)c(Cl)c2)nn2c1C(C13C4C5C1C1C3C4C51F)N(C(N)=O)CC2
InChIInChI=1S/C22H18ClF2N5O2/c23-7-5-6(1-2-8(7)24)16-9(19(26)31)17-18(29(20(27)32)3-4-30(17)28-16)21-10-13-11(21)15-12(21)14(10)22(13,15)25/h1-2,5,10-15,18H,3-4H2,(H2,26,31)(H2,27,32)
InChIKeyXUCVNJXZEOSATC-UHFFFAOYSA-N
XLogP2.34
TPSA107.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.87
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)-4-(4-fluorocuban-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118062763
5-amino-2-(3-chloro-4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 144845127
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
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
4-(4,4-difluorocyclohexyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118062433
2-(3-chloro-4-fluorophenyl)spiro[5,7-dihydro-4H-pyrazolo[1,5-a]pyridine-6,1'-cyclopropane]-3-carboxamide
CID 118069321
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-(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-(5-methylspiro[2.3]hexan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118061757
4-cyclobutyl-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118062431
4-(3-chloro-4-cyanophenyl)-2-(3,5-dichloro-4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122639858
2-(3-chloro-4-fluorophenyl)-5-N-(1-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 123662925

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-4-(4-fluorocuban-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-4-(4-fluorocuban-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118062623) is 2-(3-chloro-4-fluorophenyl)-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-chloro-4-fluorophenyl)-4-(4-fluorocuban-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-4-(4-fluorocuban-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is NC(=O)c1c(-c2ccc(F)c(Cl)c2)nn2c1C(C13C4C5C1C1C3C4C51F)N(C(N)=O)CC2.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-4-(4-fluorocuban-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is XUCVNJXZEOSATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF2N5O2/c23-7-5-6(1-2-8(7)24)16-9(19(26)31)17-18(29(20(27)32)3-4-30(17)28-16)21-10-13-11(21)15-12(21)14(10)22(13,15)25/h1-2,5,10-15,18H,3-4H2,(H2,26,31)(H2,27,32).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-4-(4-fluorocuban-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
2-(3-chloro-4-fluorophenyl)-4-(4-fluorocuban-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 457.87 g/mol, XLogP of 2.34, 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)-4-(4-fluorocuban-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118062623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).