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

C20H16Cl2FN5O2 — CID 118061468

IUPAC3-N-(2,4-dichlorophenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)N1CCn2nc(-c3cccc(F)c3)c(C(=O)Nc3ccc(Cl)cc3Cl)c2C1
InChIInChI=1S/C20H16Cl2FN5O2/c21-12-4-5-15(14(22)9-12)25-19(29)17-16-10-27(20(24)30)6-7-28(16)26-18(17)11-2-1-3-13(23)8-11/h1-5,8-9H,6-7,10H2,(H2,24,30)(H,25,29)
InChIKeyOPGMITHQDPYSOE-UHFFFAOYSA-N
MW448.29 g/mol
LogP4.14
Rot. Bonds3

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

3-N-(2,4-dichlorophenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118061468) has the molecular formula C20H16Cl2FN5O2 and a molecular weight of 448.29 g/mol. Its IUPAC name is 3-N-(2,4-dichlorophenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-(2,4-dichlorophenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118061468
Molecular FormulaC20H16Cl2FN5O2
Molecular Weight448.29 g/mol
Exact Mass447.07
IUPAC Name3-N-(2,4-dichlorophenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)N1CCn2nc(-c3cccc(F)c3)c(C(=O)Nc3ccc(Cl)cc3Cl)c2C1
InChIInChI=1S/C20H16Cl2FN5O2/c21-12-4-5-15(14(22)9-12)25-19(29)17-16-10-27(20(24)30)6-7-28(16)26-18(17)11-2-1-3-13(23)8-11/h1-5,8-9H,6-7,10H2,(H2,24,30)(H,25,29)
InChIKeyOPGMITHQDPYSOE-UHFFFAOYSA-N
XLogP4.14
TPSA93.25 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 ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-(2,4-dichlorophenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 3-N-(2,4-dichlorophenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118061468) is 3-N-(2,4-dichlorophenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-(2,4-dichlorophenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 3-N-(2,4-dichlorophenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is NC(=O)N1CCn2nc(-c3cccc(F)c3)c(C(=O)Nc3ccc(Cl)cc3Cl)c2C1.
What is the InChIKey of 3-N-(2,4-dichlorophenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is OPGMITHQDPYSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2FN5O2/c21-12-4-5-15(14(22)9-12)25-19(29)17-16-10-27(20(24)30)6-7-28(16)26-18(17)11-2-1-3-13(23)8-11/h1-5,8-9H,6-7,10H2,(H2,24,30)(H,25,29).
What are the key properties of 3-N-(2,4-dichlorophenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
3-N-(2,4-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 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,4-dichlorophenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118061468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).