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

C26H24FN5O2 — CID 144845583

IUPAC2-(3-fluorophenyl)-5-N-(4-phenylphenyl)-3a,4,6,7-tetrahydro-3H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)C1C(c2cccc(F)c2)=NN2CCN(C(=O)Nc3ccc(-c4ccccc4)cc3)CC12
InChIInChI=1S/C26H24FN5O2/c27-20-8-4-7-19(15-20)24-23(25(28)33)22-16-31(13-14-32(22)30-24)26(34)29-21-11-9-18(10-12-21)17-5-2-1-3-6-17/h1-12,15,22-23H,13-14,16H2,(H2,28,33)(H,29,34)
InChIKeyGDSOGLBVJRNCQW-UHFFFAOYSA-N
MW457.51 g/mol
LogP3.53
Rot. Bonds4

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

2-(3-fluorophenyl)-5-N-(4-phenylphenyl)-3a,4,6,7-tetrahydro-3H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 144845583) has the molecular formula C26H24FN5O2 and a molecular weight of 457.51 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-N-(4-phenylphenyl)-3a,4,6,7-tetrahydro-3H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-N-(4-phenylphenyl)-3a,4,6,7-tetrahydro-3H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID144845583
Molecular FormulaC26H24FN5O2
Molecular Weight457.51 g/mol
Exact Mass457.19
IUPAC Name2-(3-fluorophenyl)-5-N-(4-phenylphenyl)-3a,4,6,7-tetrahydro-3H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)C1C(c2cccc(F)c2)=NN2CCN(C(=O)Nc3ccc(-c4ccccc4)cc3)CC12
InChIInChI=1S/C26H24FN5O2/c27-20-8-4-7-19(15-20)24-23(25(28)33)22-16-31(13-14-32(22)30-24)26(34)29-21-11-9-18(10-12-21)17-5-2-1-3-6-17/h1-12,15,22-23H,13-14,16H2,(H2,28,33)(H,29,34)
InChIKeyGDSOGLBVJRNCQW-UHFFFAOYSA-N
XLogP3.53
TPSA91.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-N-(4-phenylphenyl)-3a,4,6,7-tetrahydro-3H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 2-(3-fluorophenyl)-5-N-(4-phenylphenyl)-3a,4,6,7-tetrahydro-3H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 144845583) is 2-(3-fluorophenyl)-5-N-(4-phenylphenyl)-3a,4,6,7-tetrahydro-3H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-5-N-(4-phenylphenyl)-3a,4,6,7-tetrahydro-3H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-5-N-(4-phenylphenyl)-3a,4,6,7-tetrahydro-3H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is NC(=O)C1C(c2cccc(F)c2)=NN2CCN(C(=O)Nc3ccc(-c4ccccc4)cc3)CC12.
What is the InChIKey of 2-(3-fluorophenyl)-5-N-(4-phenylphenyl)-3a,4,6,7-tetrahydro-3H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is GDSOGLBVJRNCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O2/c27-20-8-4-7-19(15-20)24-23(25(28)33)22-16-31(13-14-32(22)30-24)26(34)29-21-11-9-18(10-12-21)17-5-2-1-3-6-17/h1-12,15,22-23H,13-14,16H2,(H2,28,33)(H,29,34).
What are the key properties of 2-(3-fluorophenyl)-5-N-(4-phenylphenyl)-3a,4,6,7-tetrahydro-3H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
2-(3-fluorophenyl)-5-N-(4-phenylphenyl)-3a,4,6,7-tetrahydro-3H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 457.51 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-N-(4-phenylphenyl)-3a,4,6,7-tetrahydro-3H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 144845583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).