(3S)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C23H22N4O2S — CID 7200125

IUPAC(3S)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCc1ccccc1-n1nc2c(c1NC(=O)[C@H]1CC(=O)N(c3ccccc3)C1)CSC2
InChIInChI=1S/C23H22N4O2S/c1-15-7-5-6-10-20(15)27-22(18-13-30-14-19(18)25-27)24-23(29)16-11-21(28)26(12-16)17-8-3-2-4-9-17/h2-10,16H,11-14H2,1H3,(H,24,29)/t16-/m0/s1
InChIKeyYZNTZHDXHZVULG-INIZCTEOSA-N
MW418.52 g/mol
LogP3.92
Rot. Bonds4

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

(3S)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 7200125) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is (3S)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID7200125
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC Name(3S)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCc1ccccc1-n1nc2c(c1NC(=O)[C@H]1CC(=O)N(c3ccccc3)C1)CSC2
InChIInChI=1S/C23H22N4O2S/c1-15-7-5-6-10-20(15)27-22(18-13-30-14-19(18)25-27)24-23(29)16-11-21(28)26(12-16)17-8-3-2-4-9-17/h2-10,16H,11-14H2,1H3,(H,24,29)/t16-/m0/s1
InChIKeyYZNTZHDXHZVULG-INIZCTEOSA-N
XLogP3.92
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 44973923
1-(2-methoxyphenyl)-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 44973898
(3R)-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7200106
(3R)-1-(4-methoxyphenyl)-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 95389825
N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 44892823
(3R)-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7483989
3,5-dichloro-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 121030584
N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 44892819
N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 16807889
N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N',N'-dipropyloxamide
CID 7685328

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 7200125) is (3S)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is Cc1ccccc1-n1nc2c(c1NC(=O)[C@H]1CC(=O)N(c3ccccc3)C1)CSC2.
What is the InChIKey of (3S)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is YZNTZHDXHZVULG-INIZCTEOSA-N. The full InChI is InChI=1S/C23H22N4O2S/c1-15-7-5-6-10-20(15)27-22(18-13-30-14-19(18)25-27)24-23(29)16-11-21(28)26(12-16)17-8-3-2-4-9-17/h2-10,16H,11-14H2,1H3,(H,24,29)/t16-/m0/s1.
What are the key properties of (3S)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
(3S)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 418.52 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 7200125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).