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

C24H21ClN6O3 — CID 118085547

IUPAC2-(3-chlorophenyl)-5-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCc1ncc(-c2ccc(NC(=O)N3CCn4nc(-c5cccc(Cl)c5)c(C(N)=O)c4C3)cc2)o1
InChIInChI=1S/C24H21ClN6O3/c1-14-27-12-20(34-14)15-5-7-18(8-6-15)28-24(33)30-9-10-31-19(13-30)21(23(26)32)22(29-31)16-3-2-4-17(25)11-16/h2-8,11-12H,9-10,13H2,1H3,(H2,26,32)(H,28,33)
InChIKeyMNXUWGWHMBTUJR-UHFFFAOYSA-N
MW476.92 g/mol
LogP4.31
Rot. Bonds4

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

2-(3-chlorophenyl)-5-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118085547) has the molecular formula C24H21ClN6O3 and a molecular weight of 476.92 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118085547
Molecular FormulaC24H21ClN6O3
Molecular Weight476.92 g/mol
Exact Mass476.14
IUPAC Name2-(3-chlorophenyl)-5-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCc1ncc(-c2ccc(NC(=O)N3CCn4nc(-c5cccc(Cl)c5)c(C(N)=O)c4C3)cc2)o1
InChIInChI=1S/C24H21ClN6O3/c1-14-27-12-20(34-14)15-5-7-18(8-6-15)28-24(33)30-9-10-31-19(13-30)21(23(26)32)22(29-31)16-3-2-4-17(25)11-16/h2-8,11-12H,9-10,13H2,1H3,(H2,26,32)(H,28,33)
InChIKeyMNXUWGWHMBTUJR-UHFFFAOYSA-N
XLogP4.31
TPSA119.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.92
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 2-(3-chlorophenyl)-5-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118085547) is 2-(3-chlorophenyl)-5-N-[4-(2-methyl-1,3-oxazol-5-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-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-5-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is Cc1ncc(-c2ccc(NC(=O)N3CCn4nc(-c5cccc(Cl)c5)c(C(N)=O)c4C3)cc2)o1.
What is the InChIKey of 2-(3-chlorophenyl)-5-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is MNXUWGWHMBTUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN6O3/c1-14-27-12-20(34-14)15-5-7-18(8-6-15)28-24(33)30-9-10-31-19(13-30)21(23(26)32)22(29-31)16-3-2-4-17(25)11-16/h2-8,11-12H,9-10,13H2,1H3,(H2,26,32)(H,28,33).
What are the key properties of 2-(3-chlorophenyl)-5-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
2-(3-chlorophenyl)-5-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 476.92 g/mol, XLogP of 4.31, 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-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118085547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).