3-tert-butyl-5-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

C24H26N4O2S — CID 145485479

IUPAC3-tert-butyl-5-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESC=Cc1nc(N2C(=O)c3n[nH]c(C(C)(C)C)c3C2c2ccccc2OC)sc1/C=C\C
InChIInChI=1S/C24H26N4O2S/c1-7-11-17-15(8-2)25-23(31-17)28-20(14-12-9-10-13-16(14)30-6)18-19(22(28)29)26-27-21(18)24(3,4)5/h7-13,20H,2H2,1,3-6H3,(H,26,27)/b11-7-
InChIKeyOJVCNXRISOHOBJ-XFFZJAGNSA-N
MW434.57 g/mol
LogP5.60
Rot. Bonds5

About 3-tert-butyl-5-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

3-tert-butyl-5-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 145485479) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is 3-tert-butyl-5-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name3-tert-butyl-5-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID145485479
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC Name3-tert-butyl-5-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESC=Cc1nc(N2C(=O)c3n[nH]c(C(C)(C)C)c3C2c2ccccc2OC)sc1/C=C\C
InChIInChI=1S/C24H26N4O2S/c1-7-11-17-15(8-2)25-23(31-17)28-20(14-12-9-10-13-16(14)30-6)18-19(22(28)29)26-27-21(18)24(3,4)5/h7-13,20H,2H2,1,3-6H3,(H,26,27)/b11-7-
InChIKeyOJVCNXRISOHOBJ-XFFZJAGNSA-N
XLogP5.60
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.57
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,3-benzothiazol-2-yl)-3-tert-butyl-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58045167
5-(6-bromo-3-pyridinyl)-3-tert-butyl-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365975
3-tert-butyl-5-[4-(N-methoxy-C-methylcarbonimidoyl)phenyl]-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 76735689
3-tert-butyl-5-[4-(4,5-dihydro-1,3-thiazol-2-yl)phenyl]-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58045314
5-[4-[3-tert-butyl-4-(2-methoxyphenyl)-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]phenyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 58045114
3-tert-butyl-4-(2-methoxyphenyl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
CID 145485485
(4S)-4-(2-methoxyphenyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 937617
3-tert-butyl-4-[2-(2-oxopropoxy)phenyl]-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365332
2-[2-[3-tert-butyl-6-oxo-5-(4-thiophen-2-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]phenoxy]acetic acid
CID 58365960
3-tert-butyl-4-[2-(2-methylsulfinylethoxy)phenyl]-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365509
2-[2-[3-tert-butyl-6-oxo-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]phenoxy]acetonitrile
CID 58365792
1-(1,3-benzothiazol-2-yl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one
CID 58045266

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 3-tert-butyl-5-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 145485479) is 3-tert-butyl-5-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 3-tert-butyl-5-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 3-tert-butyl-5-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is C=Cc1nc(N2C(=O)c3n[nH]c(C(C)(C)C)c3C2c2ccccc2OC)sc1/C=C\C.
What is the InChIKey of 3-tert-butyl-5-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is OJVCNXRISOHOBJ-XFFZJAGNSA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-7-11-17-15(8-2)25-23(31-17)28-20(14-12-9-10-13-16(14)30-6)18-19(22(28)29)26-27-21(18)24(3,4)5/h7-13,20H,2H2,1,3-6H3,(H,26,27)/b11-7-.
What are the key properties of 3-tert-butyl-5-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
3-tert-butyl-5-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 434.57 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 145485479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).