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

C24H24N4O3S — CID 44973898

IUPAC1-(2-methoxyphenyl)-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1N1CC(C(=O)Nc2c3c(nn2-c2cccc(C)c2)CSC3)CC1=O
InChIInChI=1S/C24H24N4O3S/c1-15-6-5-7-17(10-15)28-23(18-13-32-14-19(18)26-28)25-24(30)16-11-22(29)27(12-16)20-8-3-4-9-21(20)31-2/h3-10,16H,11-14H2,1-2H3,(H,25,30)
InChIKeyQSIADWSKIHVEBI-UHFFFAOYSA-N
MW448.55 g/mol
LogP3.93
Rot. Bonds5

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

1-(2-methoxyphenyl)-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 44973898) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID44973898
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC Name1-(2-methoxyphenyl)-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1N1CC(C(=O)Nc2c3c(nn2-c2cccc(C)c2)CSC3)CC1=O
InChIInChI=1S/C24H24N4O3S/c1-15-6-5-7-17(10-15)28-23(18-13-32-14-19(18)26-28)25-24(30)16-11-22(29)27(12-16)20-8-3-4-9-21(20)31-2/h3-10,16H,11-14H2,1-2H3,(H,25,30)
InChIKeyQSIADWSKIHVEBI-UHFFFAOYSA-N
XLogP3.93
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 44973923
1-(3-methylphenyl)-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 44973902
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
N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 44892819
1-(2-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 18885995
ethyl 5-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(3-methylphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate
CID 16818741
(3R)-N-(2-methoxy-5-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9098300
(3R)-1-(2-methoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 25374869
(3R)-1-(4-methoxyphenyl)-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 95389825
4-fluoro-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 5110665
(3S)-1-(2-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 35036236

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-methoxyphenyl)-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide (CID 44973898) is 1-(2-methoxyphenyl)-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide is COc1ccccc1N1CC(C(=O)Nc2c3c(nn2-c2cccc(C)c2)CSC3)CC1=O.
What is the InChIKey of 1-(2-methoxyphenyl)-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QSIADWSKIHVEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c1-15-6-5-7-17(10-15)28-23(18-13-32-14-19(18)26-28)25-24(30)16-11-22(29)27(12-16)20-8-3-4-9-21(20)31-2/h3-10,16H,11-14H2,1-2H3,(H,25,30).
What are the key properties of 1-(2-methoxyphenyl)-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
1-(2-methoxyphenyl)-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 448.55 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 44973898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).