2-(3-chlorophenyl)-5-N-[4-(1,3-oxazol-2-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

C23H19ClN6O3 — CID 118085459

IUPAC2-(3-chlorophenyl)-5-N-[4-(1,3-oxazol-2-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(Cl)c2)nn2c1CN(C(=O)Nc1ccc(-c3ncco3)cc1)CC2
InChIInChI=1S/C23H19ClN6O3/c24-16-3-1-2-15(12-16)20-19(21(25)31)18-13-29(9-10-30(18)28-20)23(32)27-17-6-4-14(5-7-17)22-26-8-11-33-22/h1-8,11-12H,9-10,13H2,(H2,25,31)(H,27,32)
InChIKeyPBAQMQWLFOFNCU-UHFFFAOYSA-N
MW462.90 g/mol
LogP4.01
Rot. Bonds4

About 2-(3-chlorophenyl)-5-N-[4-(1,3-oxazol-2-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

2-(3-chlorophenyl)-5-N-[4-(1,3-oxazol-2-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118085459) has the molecular formula C23H19ClN6O3 and a molecular weight of 462.90 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-N-[4-(1,3-oxazol-2-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-N-[4-(1,3-oxazol-2-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118085459
Molecular FormulaC23H19ClN6O3
Molecular Weight462.90 g/mol
Exact Mass462.12
IUPAC Name2-(3-chlorophenyl)-5-N-[4-(1,3-oxazol-2-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(Cl)c2)nn2c1CN(C(=O)Nc1ccc(-c3ncco3)cc1)CC2
InChIInChI=1S/C23H19ClN6O3/c24-16-3-1-2-15(12-16)20-19(21(25)31)18-13-29(9-10-30(18)28-20)23(32)27-17-6-4-14(5-7-17)22-26-8-11-33-22/h1-8,11-12H,9-10,13H2,(H2,25,31)(H,27,32)
InChIKeyPBAQMQWLFOFNCU-UHFFFAOYSA-N
XLogP4.01
TPSA119.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.90
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-N-[4-(1,3-oxazol-2-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 2-(3-chlorophenyl)-5-N-[4-(1,3-oxazol-2-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118085459) is 2-(3-chlorophenyl)-5-N-[4-(1,3-oxazol-2-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-5-N-[4-(1,3-oxazol-2-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-5-N-[4-(1,3-oxazol-2-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is NC(=O)c1c(-c2cccc(Cl)c2)nn2c1CN(C(=O)Nc1ccc(-c3ncco3)cc1)CC2.
What is the InChIKey of 2-(3-chlorophenyl)-5-N-[4-(1,3-oxazol-2-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is PBAQMQWLFOFNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN6O3/c24-16-3-1-2-15(12-16)20-19(21(25)31)18-13-29(9-10-30(18)28-20)23(32)27-17-6-4-14(5-7-17)22-26-8-11-33-22/h1-8,11-12H,9-10,13H2,(H2,25,31)(H,27,32).
What are the key properties of 2-(3-chlorophenyl)-5-N-[4-(1,3-oxazol-2-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
2-(3-chlorophenyl)-5-N-[4-(1,3-oxazol-2-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 462.90 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-N-[4-(1,3-oxazol-2-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118085459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).