2-[2-(4-chlorophenyl)-4-oxo-7-pentyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-methyl-N-phenylacetamide

C26H29ClN4O2 — CID 144910524

IUPAC2-[2-(4-chlorophenyl)-4-oxo-7-pentyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-methyl-N-phenylacetamide
SMILESCCCCCC1CN(CC(=O)N(C)c2ccccc2)C(=O)c2cc(-c3ccc(Cl)cc3)nn21
InChIInChI=1S/C26H29ClN4O2/c1-3-4-6-11-22-17-30(18-25(32)29(2)21-9-7-5-8-10-21)26(33)24-16-23(28-31(22)24)19-12-14-20(27)15-13-19/h5,7-10,12-16,22H,3-4,6,11,17-18H2,1-2H3
InChIKeyWTNGPVGWFMEALQ-UHFFFAOYSA-N
MW465.00 g/mol
LogP5.44
Rot. Bonds8

About 2-[2-(4-chlorophenyl)-4-oxo-7-pentyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-methyl-N-phenylacetamide

2-[2-(4-chlorophenyl)-4-oxo-7-pentyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-methyl-N-phenylacetamide (PubChem CID 144910524) has the molecular formula C26H29ClN4O2 and a molecular weight of 465.00 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-4-oxo-7-pentyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-4-oxo-7-pentyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-methyl-N-phenylacetamide
PubChem CID144910524
Molecular FormulaC26H29ClN4O2
Molecular Weight465.00 g/mol
Exact Mass464.20
IUPAC Name2-[2-(4-chlorophenyl)-4-oxo-7-pentyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-methyl-N-phenylacetamide
SMILESCCCCCC1CN(CC(=O)N(C)c2ccccc2)C(=O)c2cc(-c3ccc(Cl)cc3)nn21
InChIInChI=1S/C26H29ClN4O2/c1-3-4-6-11-22-17-30(18-25(32)29(2)21-9-7-5-8-10-21)26(33)24-16-23(28-31(22)24)19-12-14-20(27)15-13-19/h5,7-10,12-16,22H,3-4,6,11,17-18H2,1-2H3
InChIKeyWTNGPVGWFMEALQ-UHFFFAOYSA-N
XLogP5.44
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.00
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-4-oxo-7-pentyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-4-oxo-7-pentyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-methyl-N-phenylacetamide (CID 144910524) is 2-[2-(4-chlorophenyl)-4-oxo-7-pentyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-4-oxo-7-pentyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-4-oxo-7-pentyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-methyl-N-phenylacetamide is CCCCCC1CN(CC(=O)N(C)c2ccccc2)C(=O)c2cc(-c3ccc(Cl)cc3)nn21.
What is the InChIKey of 2-[2-(4-chlorophenyl)-4-oxo-7-pentyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-methyl-N-phenylacetamide?
The InChIKey is WTNGPVGWFMEALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O2/c1-3-4-6-11-22-17-30(18-25(32)29(2)21-9-7-5-8-10-21)26(33)24-16-23(28-31(22)24)19-12-14-20(27)15-13-19/h5,7-10,12-16,22H,3-4,6,11,17-18H2,1-2H3.
What are the key properties of 2-[2-(4-chlorophenyl)-4-oxo-7-pentyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-methyl-N-phenylacetamide?
2-[2-(4-chlorophenyl)-4-oxo-7-pentyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-methyl-N-phenylacetamide has a molecular weight of 465.00 g/mol, XLogP of 5.44, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-4-oxo-7-pentyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 144910524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).