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

C21H26N4O3S — CID 7483989

IUPAC(3R)-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@H](C(=O)Nc3c4c(nn3C(C)(C)C)CSC4)CC2=O)cc1
InChIInChI=1S/C21H26N4O3S/c1-21(2,3)25-19(16-11-29-12-17(16)23-25)22-20(27)13-9-18(26)24(10-13)14-5-7-15(28-4)8-6-14/h5-8,13H,9-12H2,1-4H3,(H,22,27)/t13-/m1/s1
InChIKeyYXBZYFQWMQEECR-CYBMUJFWSA-N
MW414.53 g/mol
LogP3.39
Rot. Bonds4

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

(3R)-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 7483989) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is (3R)-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID7483989
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC Name(3R)-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@H](C(=O)Nc3c4c(nn3C(C)(C)C)CSC4)CC2=O)cc1
InChIInChI=1S/C21H26N4O3S/c1-21(2,3)25-19(16-11-29-12-17(16)23-25)22-20(27)13-9-18(26)24(10-13)14-5-7-15(28-4)8-6-14/h5-8,13H,9-12H2,1-4H3,(H,22,27)/t13-/m1/s1
InChIKeyYXBZYFQWMQEECR-CYBMUJFWSA-N
XLogP3.39
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-(4-methoxyphenyl)-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 95389825
(3R)-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7200106
1-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-(4-methoxyphenyl)urea
CID 4550397
N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 16812402
(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
N-(5-tert-butyl-2-methoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3155544
N-tert-butyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6459120
(3S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7369838
(3S)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 7200125
1-(4-methoxyphenyl)-5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 6484633
(3S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 94662458

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 7483989) is (3R)-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2C[C@H](C(=O)Nc3c4c(nn3C(C)(C)C)CSC4)CC2=O)cc1.
What is the InChIKey of (3R)-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YXBZYFQWMQEECR-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H26N4O3S/c1-21(2,3)25-19(16-11-29-12-17(16)23-25)22-20(27)13-9-18(26)24(10-13)14-5-7-15(28-4)8-6-14/h5-8,13H,9-12H2,1-4H3,(H,22,27)/t13-/m1/s1.
What are the key properties of (3R)-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 414.53 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 7483989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).