N-[(4-methoxyphenyl)methyl]-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide

C21H20N4O3S — CID 7423884

IUPACN-[(4-methoxyphenyl)methyl]-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide
SMILESCOc1ccc(CNC(=O)C(=O)Nc2c3c(nn2-c2ccccc2)CSC3)cc1
InChIInChI=1S/C21H20N4O3S/c1-28-16-9-7-14(8-10-16)11-22-20(26)21(27)23-19-17-12-29-13-18(17)24-25(19)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,22,26)(H,23,27)
InChIKeyDLOPFBZPHRVBDH-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.88
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide

N-[(4-methoxyphenyl)methyl]-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide (PubChem CID 7423884) has the molecular formula C21H20N4O3S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide
PubChem CID7423884
Molecular FormulaC21H20N4O3S
Molecular Weight408.48 g/mol
Exact Mass408.13
IUPAC NameN-[(4-methoxyphenyl)methyl]-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide
SMILESCOc1ccc(CNC(=O)C(=O)Nc2c3c(nn2-c2ccccc2)CSC3)cc1
InChIInChI=1S/C21H20N4O3S/c1-28-16-9-7-14(8-10-16)11-22-20(26)21(27)23-19-17-12-29-13-18(17)24-25(19)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,22,26)(H,23,27)
InChIKeyDLOPFBZPHRVBDH-UHFFFAOYSA-N
XLogP2.88
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide
CID 2050900
N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide
CID 2160307
2-(4-methoxyphenyl)-N-(5-oxido-2-(o-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)acetamide
CID 2160308
4-isopropoxy-N-[2-(4-methylphenyl)-5-oxido-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]benzamide
CID 2160486
N-[(4-methoxyphenyl)methyl]-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]acetamide
CID 3563940
2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 16026527
1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-5,5-dioxo-2H,4H,6H-5lambda6-thieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 24891901
3-tert-butyl-5-[[(4-methoxyphenyl)methylamino]methyl]-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one
CID 135417936
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetamide
CID 155510504
N-(2-(4-methoxyphenyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)isobutyramide
CID 4452492
4-(4-Methoxy-phenyl)-3-methyl-1-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one
CID 3778183
4-ethoxy-N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 2160378

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide (CID 7423884) is N-[(4-methoxyphenyl)methyl]-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide is COc1ccc(CNC(=O)C(=O)Nc2c3c(nn2-c2ccccc2)CSC3)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide?
The InChIKey is DLOPFBZPHRVBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S/c1-28-16-9-7-14(8-10-16)11-22-20(26)21(27)23-19-17-12-29-13-18(17)24-25(19)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N-[(4-methoxyphenyl)methyl]-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide?
N-[(4-methoxyphenyl)methyl]-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide has a molecular weight of 408.48 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide is sourced from PubChem (CID 7423884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).