2-(3-chlorophenyl)-5-[2-(3-fluoro-4-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide

C22H20ClFN4O2 — CID 149372393

IUPAC2-(3-chlorophenyl)-5-[2-(3-fluoro-4-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCc1ccc(CC(=O)N2CCn3nc(-c4cccc(Cl)c4)c(C(N)=O)c3C2)cc1F
InChIInChI=1S/C22H20ClFN4O2/c1-13-5-6-14(9-17(13)24)10-19(29)27-7-8-28-18(12-27)20(22(25)30)21(26-28)15-3-2-4-16(23)11-15/h2-6,9,11H,7-8,10,12H2,1H3,(H2,25,30)
InChIKeyYKBGNESFICTFDY-UHFFFAOYSA-N
MW426.88 g/mol
LogP3.33
Rot. Bonds4

About 2-(3-chlorophenyl)-5-[2-(3-fluoro-4-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide

2-(3-chlorophenyl)-5-[2-(3-fluoro-4-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 149372393) has the molecular formula C22H20ClFN4O2 and a molecular weight of 426.88 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-[2-(3-fluoro-4-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-[2-(3-fluoro-4-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID149372393
Molecular FormulaC22H20ClFN4O2
Molecular Weight426.88 g/mol
Exact Mass426.13
IUPAC Name2-(3-chlorophenyl)-5-[2-(3-fluoro-4-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCc1ccc(CC(=O)N2CCn3nc(-c4cccc(Cl)c4)c(C(N)=O)c3C2)cc1F
InChIInChI=1S/C22H20ClFN4O2/c1-13-5-6-14(9-17(13)24)10-19(29)27-7-8-28-18(12-27)20(22(25)30)21(26-28)15-3-2-4-16(23)11-15/h2-6,9,11H,7-8,10,12H2,1H3,(H2,25,30)
InChIKeyYKBGNESFICTFDY-UHFFFAOYSA-N
XLogP3.33
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.88
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)-5-[4-fluoro-3-(fluoromethyl)-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 162100467
2-(3-chloro-5-fluorophenyl)-5-[2-(3,5-dichlorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 149094626
5-[2-(1,3-benzothiazol-6-yl)acetyl]-2-(4-fluoro-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 148909814
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-[3-(3,3-difluorocyclobutyl)-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 160903423
2-(3-chlorophenyl)-5-[2-[1-(difluoromethyl)-3,3-difluorocyclobutyl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 157395804
2-(3-chlorophenyl)-5-N-(1-hydroxy-2-methylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118062214
(7R)-2-(3-chlorophenyl)-5-[2-(3-fluoro-4-isocyanophenyl)acetyl]-7-(fluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 159003849
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-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
2-(3-chlorophenyl)-5-N-(3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118062081
tert-butyl 3-carbamoyl-2-(4-fluoro-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 118085424

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-[2-(3-fluoro-4-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-5-[2-(3-fluoro-4-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide (CID 149372393) is 2-(3-chlorophenyl)-5-[2-(3-fluoro-4-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-5-[2-(3-fluoro-4-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-5-[2-(3-fluoro-4-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide is Cc1ccc(CC(=O)N2CCn3nc(-c4cccc(Cl)c4)c(C(N)=O)c3C2)cc1F.
What is the InChIKey of 2-(3-chlorophenyl)-5-[2-(3-fluoro-4-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is YKBGNESFICTFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN4O2/c1-13-5-6-14(9-17(13)24)10-19(29)27-7-8-28-18(12-27)20(22(25)30)21(26-28)15-3-2-4-16(23)11-15/h2-6,9,11H,7-8,10,12H2,1H3,(H2,25,30).
What are the key properties of 2-(3-chlorophenyl)-5-[2-(3-fluoro-4-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
2-(3-chlorophenyl)-5-[2-(3-fluoro-4-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 426.88 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-[2-(3-fluoro-4-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 149372393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).