(4R)-3-(3-methoxyphenyl)-5-propyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

C19H19N3O2S — CID 51426467

IUPAC(4R)-3-(3-methoxyphenyl)-5-propyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCCCN1C(=O)c2[nH]nc(-c3cccc(OC)c3)c2[C@@H]1c1cccs1
InChIInChI=1S/C19H19N3O2S/c1-3-9-22-18(14-8-5-10-25-14)15-16(20-21-17(15)19(22)23)12-6-4-7-13(11-12)24-2/h4-8,10-11,18H,3,9H2,1-2H3,(H,20,21)/t18-/m0/s1
InChIKeyQSOQYEKTPDMPFQ-SFHVURJKSA-N
MW353.45 g/mol
LogP4.10
Rot. Bonds5

About (4R)-3-(3-methoxyphenyl)-5-propyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

(4R)-3-(3-methoxyphenyl)-5-propyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (PubChem CID 51426467) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is (4R)-3-(3-methoxyphenyl)-5-propyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name(4R)-3-(3-methoxyphenyl)-5-propyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
PubChem CID51426467
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name(4R)-3-(3-methoxyphenyl)-5-propyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCCCN1C(=O)c2[nH]nc(-c3cccc(OC)c3)c2[C@@H]1c1cccs1
InChIInChI=1S/C19H19N3O2S/c1-3-9-22-18(14-8-5-10-25-14)15-16(20-21-17(15)19(22)23)12-6-4-7-13(11-12)24-2/h4-8,10-11,18H,3,9H2,1-2H3,(H,20,21)/t18-/m0/s1
InChIKeyQSOQYEKTPDMPFQ-SFHVURJKSA-N
XLogP4.10
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-methoxyphenyl)methyl]-3-phenyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856063
(4S)-4-(3-ethoxy-4-hydroxyphenyl)-3-(3-methoxyphenyl)-5-propyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 51426463
(4S)-5-(2-methoxyethyl)-3-(3-methoxyphenyl)-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 42536706
4-(4-hydroxyphenyl)-5-(2-methoxyethyl)-3-(3-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 42649301
(4R)-4-(3-hydroxyphenyl)-5-(2-methoxyethyl)-3-(3-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 42535538
5-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43859286
3-(4-methoxyphenyl)-5-propyl-4-pyridin-3-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 23608271
(4R)-3-(3-methoxyphenyl)-5-methyl-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 51426415
4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-5-propyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858619
5-butyl-4-(3-ethoxyphenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858691
(4R)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 42536782
4-(3-nitrophenyl)-3-phenyl-5-propyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855187

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(3-methoxyphenyl)-5-propyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of (4R)-3-(3-methoxyphenyl)-5-propyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (CID 51426467) is (4R)-3-(3-methoxyphenyl)-5-propyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for (4R)-3-(3-methoxyphenyl)-5-propyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for (4R)-3-(3-methoxyphenyl)-5-propyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is CCCN1C(=O)c2[nH]nc(-c3cccc(OC)c3)c2[C@@H]1c1cccs1.
What is the InChIKey of (4R)-3-(3-methoxyphenyl)-5-propyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is QSOQYEKTPDMPFQ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-3-9-22-18(14-8-5-10-25-14)15-16(20-21-17(15)19(22)23)12-6-4-7-13(11-12)24-2/h4-8,10-11,18H,3,9H2,1-2H3,(H,20,21)/t18-/m0/s1.
What are the key properties of (4R)-3-(3-methoxyphenyl)-5-propyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
(4R)-3-(3-methoxyphenyl)-5-propyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 353.45 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(3-methoxyphenyl)-5-propyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 51426467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).