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

C20H16Cl2FN5O2 — CID 118061288

IUPAC4-(3,5-dichlorophenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(F)c2)nn2c1C(c1cc(Cl)cc(Cl)c1)N(C(N)=O)CC2
InChIInChI=1S/C20H16Cl2FN5O2/c21-12-6-11(7-13(22)9-12)17-18-15(19(24)29)16(10-2-1-3-14(23)8-10)26-28(18)5-4-27(17)20(25)30/h1-3,6-9,17H,4-5H2,(H2,24,29)(H2,25,30)
InChIKeyWRFIFXKFXCMSEW-UHFFFAOYSA-N
MW448.29 g/mol
LogP3.58
Rot. Bonds3

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

4-(3,5-dichlorophenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118061288) has the molecular formula C20H16Cl2FN5O2 and a molecular weight of 448.29 g/mol. Its IUPAC name is 4-(3,5-dichlorophenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name4-(3,5-dichlorophenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118061288
Molecular FormulaC20H16Cl2FN5O2
Molecular Weight448.29 g/mol
Exact Mass447.07
IUPAC Name4-(3,5-dichlorophenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(F)c2)nn2c1C(c1cc(Cl)cc(Cl)c1)N(C(N)=O)CC2
InChIInChI=1S/C20H16Cl2FN5O2/c21-12-6-11(7-13(22)9-12)17-18-15(19(24)29)16(10-2-1-3-14(23)8-10)26-28(18)5-4-27(17)20(25)30/h1-3,6-9,17H,4-5H2,(H2,24,29)(H2,25,30)
InChIKeyWRFIFXKFXCMSEW-UHFFFAOYSA-N
XLogP3.58
TPSA107.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.29
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(3,5-dichlorophenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide with MolForge

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Related Compounds

US9598423, Example 108
CID 118071186
US11839663, Example 1
CID 156199314
(2,3-dichlorophenyl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone
CID 90408542
(2,3-dichlorophenyl)-(1-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)methanone
CID 90409605
(2,3-dichlorophenyl)-[3-(4-fluorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone
CID 90409734
US9598423, Example 6
CID 91758754
US9598423, Example 167
CID 118061426
US9598423, Example 156
CID 118061644
US9598423, Example 17
CID 118061674
US9598423, Example 162
CID 118061909
US9598423, Example 346
CID 118061910
US9598423, Example 21
CID 118061946

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichlorophenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 4-(3,5-dichlorophenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118061288) is 4-(3,5-dichlorophenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 4-(3,5-dichlorophenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 4-(3,5-dichlorophenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is NC(=O)c1c(-c2cccc(F)c2)nn2c1C(c1cc(Cl)cc(Cl)c1)N(C(N)=O)CC2.
What is the InChIKey of 4-(3,5-dichlorophenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is WRFIFXKFXCMSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2FN5O2/c21-12-6-11(7-13(22)9-12)17-18-15(19(24)29)16(10-2-1-3-14(23)8-10)26-28(18)5-4-27(17)20(25)30/h1-3,6-9,17H,4-5H2,(H2,24,29)(H2,25,30).
What are the key properties of 4-(3,5-dichlorophenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
4-(3,5-dichlorophenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 448.29 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichlorophenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118061288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).