5-(9H-fluoren-9-ylmethoxycarbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-3-carboxylic acid

C23H21N3O4 — CID 138040489

IUPAC5-(9H-fluoren-9-ylmethoxycarbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-3-carboxylic acid
SMILESCC1(C)c2[nH]nc(C(=O)O)c2CN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H21N3O4/c1-23(2)20-17(19(21(27)28)24-25-20)11-26(23)22(29)30-12-18-15-9-5-3-7-13(15)14-8-4-6-10-16(14)18/h3-10,18H,11-12H2,1-2H3,(H,24,25)(H,27,28)
InChIKeyVMTJFJOGQGUMGR-UHFFFAOYSA-N
MW403.44 g/mol
LogP4.11
Rot. Bonds3

About 5-(9H-fluoren-9-ylmethoxycarbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-3-carboxylic acid

5-(9H-fluoren-9-ylmethoxycarbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-3-carboxylic acid (PubChem CID 138040489) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is 5-(9H-fluoren-9-ylmethoxycarbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(9H-fluoren-9-ylmethoxycarbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-3-carboxylic acid
PubChem CID138040489
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Name5-(9H-fluoren-9-ylmethoxycarbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-3-carboxylic acid
SMILESCC1(C)c2[nH]nc(C(=O)O)c2CN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H21N3O4/c1-23(2)20-17(19(21(27)28)24-25-20)11-26(23)22(29)30-12-18-15-9-5-3-7-13(15)14-8-4-6-10-16(14)18/h3-10,18H,11-12H2,1-2H3,(H,24,25)(H,27,28)
InChIKeyVMTJFJOGQGUMGR-UHFFFAOYSA-N
XLogP4.11
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(9H-fluoren-9-ylmethoxycarbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-3-carboxylic acid with MolForge

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Related Compounds

9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608
1-(9H-fluoren-9-ylmethoxycarbonyl)-3,3-dimethylpiperidine-4-carboxylic acid
CID 167717175
2-[4-(9H-fluoren-9-ylmethoxycarbonyl)-2-oxopiperazin-1-yl]acetic acid
CID 17040176
1-(9H-fluoren-9-ylmethoxycarbonyl)-2,2-dimethyl-3-oxo-4H-quinoxaline-6-carboxylic acid
CID 167723833
2-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]propanoic acid
CID 63310757
(4S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate
CID 86309804
9H-fluoren-9-ylmethyl 3-oxoazetidine-1-carboxylate
CID 171525727
4-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 165179277
2-[7-(9H-fluoren-9-ylmethoxycarbonyl)-7-azabicyclo[2.2.1]heptan-1-yl]acetic acid
CID 165478738
9H-fluoren-9-ylmethyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate
CID 118275293
(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)azepane-2-carboxylic acid
CID 96567444
(3R)-2-(9H-fluoren-9-ylmethoxycarbonyl)-3-methyl-1,3-dihydroisoindole-5-carboxylic acid
CID 175654013

Frequently Asked Questions

What is the IUPAC name of 5-(9H-fluoren-9-ylmethoxycarbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-3-carboxylic acid?
The IUPAC name of 5-(9H-fluoren-9-ylmethoxycarbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-3-carboxylic acid (CID 138040489) is 5-(9H-fluoren-9-ylmethoxycarbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(9H-fluoren-9-ylmethoxycarbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-3-carboxylic acid?
The canonical SMILES for 5-(9H-fluoren-9-ylmethoxycarbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-3-carboxylic acid is CC1(C)c2[nH]nc(C(=O)O)c2CN1C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 5-(9H-fluoren-9-ylmethoxycarbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-3-carboxylic acid?
The InChIKey is VMTJFJOGQGUMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-23(2)20-17(19(21(27)28)24-25-20)11-26(23)22(29)30-12-18-15-9-5-3-7-13(15)14-8-4-6-10-16(14)18/h3-10,18H,11-12H2,1-2H3,(H,24,25)(H,27,28).
What are the key properties of 5-(9H-fluoren-9-ylmethoxycarbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-3-carboxylic acid?
5-(9H-fluoren-9-ylmethoxycarbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-3-carboxylic acid has a molecular weight of 403.44 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9H-fluoren-9-ylmethoxycarbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-3-carboxylic acid is sourced from PubChem (CID 138040489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).