N-[(5R)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide

C14H15N3O3S — CID 40768409

IUPACN-[(5R)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
SMILESCOc1ccc(-n2nc3c(c2NC(C)=O)C[S@@](=O)C3)cc1
InChIInChI=1S/C14H15N3O3S/c1-9(18)15-14-12-7-21(19)8-13(12)16-17(14)10-3-5-11(20-2)6-4-10/h3-6H,7-8H2,1-2H3,(H,15,18)/t21-/m1/s1
InChIKeyUXPSXUJFIYJWLS-OAQYLSRUSA-N
MW305.36 g/mol
LogP1.60
Rot. Bonds3

About N-[(5R)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide

N-[(5R)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide (PubChem CID 40768409) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-[(5R)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(5R)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
PubChem CID40768409
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC NameN-[(5R)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
SMILESCOc1ccc(-n2nc3c(c2NC(C)=O)C[S@@](=O)C3)cc1
InChIInChI=1S/C14H15N3O3S/c1-9(18)15-14-12-7-21(19)8-13(12)16-17(14)10-3-5-11(20-2)6-4-10/h3-6H,7-8H2,1-2H3,(H,15,18)/t21-/m1/s1
InChIKeyUXPSXUJFIYJWLS-OAQYLSRUSA-N
XLogP1.60
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide
CID 756265
N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopropanecarboxamide
CID 756294
N-[(5R)-2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 40768407
4-chloro-N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 3352139
4-fluoro-N-[(5S)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 11863869
N-[(5S)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]naphthalene-2-carboxamide
CID 11883815
N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-propan-2-yloxybenzamide
CID 2160489
N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide
CID 2160305
N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide
CID 2160449
N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-phenylpropanamide
CID 4134790
2-(4-methoxyphenyl)-N-[(5R)-5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 11877691
N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(trifluoromethyl)benzamide
CID 2160392

Frequently Asked Questions

What is the IUPAC name of N-[(5R)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide?
The IUPAC name of N-[(5R)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide (CID 40768409) is N-[(5R)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[(5R)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide?
The canonical SMILES for N-[(5R)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide is COc1ccc(-n2nc3c(c2NC(C)=O)C[S@@](=O)C3)cc1.
What is the InChIKey of N-[(5R)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide?
The InChIKey is UXPSXUJFIYJWLS-OAQYLSRUSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-9(18)15-14-12-7-21(19)8-13(12)16-17(14)10-3-5-11(20-2)6-4-10/h3-6H,7-8H2,1-2H3,(H,15,18)/t21-/m1/s1.
What are the key properties of N-[(5R)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide?
N-[(5R)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide has a molecular weight of 305.36 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide is sourced from PubChem (CID 40768409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).