(3R)-1-(4-methoxyphenyl)-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide

C18H20N4O3S — CID 95389825

IUPAC(3R)-1-(4-methoxyphenyl)-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@H](C(=O)Nc3c4c(nn3C)CSC4)CC2=O)cc1
InChIInChI=1S/C18H20N4O3S/c1-21-17(14-9-26-10-15(14)20-21)19-18(24)11-7-16(23)22(8-11)12-3-5-13(25-2)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,19,24)/t11-/m1/s1
InChIKeyRZUNKQDOONECFE-LLVKDONJSA-N
MW372.45 g/mol
LogP2.17
Rot. Bonds4

About (3R)-1-(4-methoxyphenyl)-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-(4-methoxyphenyl)-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 95389825) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is (3R)-1-(4-methoxyphenyl)-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-methoxyphenyl)-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID95389825
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name(3R)-1-(4-methoxyphenyl)-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@H](C(=O)Nc3c4c(nn3C)CSC4)CC2=O)cc1
InChIInChI=1S/C18H20N4O3S/c1-21-17(14-9-26-10-15(14)20-21)19-18(24)11-7-16(23)22(8-11)12-3-5-13(25-2)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,19,24)/t11-/m1/s1
InChIKeyRZUNKQDOONECFE-LLVKDONJSA-N
XLogP2.17
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7483989
(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 44973924
(3S)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 7200125
(3R)-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7200106
(3S)-N-(4,6-dimethylpyrimidin-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 94843087
N-(4-acetamidophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2920874
1-(3-methylphenyl)-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 44973902
(3S)-N-(4-acetylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1088212
N-[2-(4-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 44892829
(3R)-1-(4-methoxyphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 974529
1-(4-methoxyphenyl)-5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 6484633

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-methoxyphenyl)-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-methoxyphenyl)-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 95389825) is (3R)-1-(4-methoxyphenyl)-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-methoxyphenyl)-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-methoxyphenyl)-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2C[C@H](C(=O)Nc3c4c(nn3C)CSC4)CC2=O)cc1.
What is the InChIKey of (3R)-1-(4-methoxyphenyl)-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RZUNKQDOONECFE-LLVKDONJSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-21-17(14-9-26-10-15(14)20-21)19-18(24)11-7-16(23)22(8-11)12-3-5-13(25-2)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,19,24)/t11-/m1/s1.
What are the key properties of (3R)-1-(4-methoxyphenyl)-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(4-methoxyphenyl)-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-methoxyphenyl)-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95389825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).