1-(2-tert-butyl-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(4-fluorophenoxy)ethanone

C21H23FN4O2 — CID 90501349

IUPAC1-(2-tert-butyl-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(4-fluorophenoxy)ethanone
SMILESCC(C)(C)n1nc2c(c1-n1cccc1)CN(C(=O)COc1ccc(F)cc1)C2
InChIInChI=1S/C21H23FN4O2/c1-21(2,3)26-20(24-10-4-5-11-24)17-12-25(13-18(17)23-26)19(27)14-28-16-8-6-15(22)7-9-16/h4-11H,12-14H2,1-3H3
InChIKeySUTZRZAJKNQGEH-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.49
Rot. Bonds4

About 1-(2-tert-butyl-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(4-fluorophenoxy)ethanone

1-(2-tert-butyl-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(4-fluorophenoxy)ethanone (PubChem CID 90501349) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is 1-(2-tert-butyl-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(4-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-(2-tert-butyl-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(4-fluorophenoxy)ethanone
PubChem CID90501349
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Name1-(2-tert-butyl-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(4-fluorophenoxy)ethanone
SMILESCC(C)(C)n1nc2c(c1-n1cccc1)CN(C(=O)COc1ccc(F)cc1)C2
InChIInChI=1S/C21H23FN4O2/c1-21(2,3)26-20(24-10-4-5-11-24)17-12-25(13-18(17)23-26)19(27)14-28-16-8-6-15(22)7-9-16/h4-11H,12-14H2,1-3H3
InChIKeySUTZRZAJKNQGEH-UHFFFAOYSA-N
XLogP3.49
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2-tert-butyl-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(4-fluorophenoxy)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-(4-propan-2-ylphenoxy)ethanone
CID 90501986
4-(2-tert-butyl-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl)benzonitrile
CID 90501403
(2-tert-butyl-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-(2-iodophenyl)methanone
CID 90501308
2-(3-methylphenoxy)-1-[2-(2-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]ethanone
CID 90501984
1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949
(2-tert-butyl-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-(9H-xanthen-9-yl)methanone
CID 90501373
2-ethoxy-1-[2-(4-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]ethanone
CID 90501482
(4-fluorophenyl)-[2-(2-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone
CID 90501940
1-(azocan-1-yl)-2-[4-(4-fluorobenzoyl)phenoxy]ethanone
CID 55397362
2-(4-fluorophenoxy)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone
CID 110932543
1-(4-fluorophenyl)-2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 110358975
1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]butan-1-one
CID 110817306

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(4-fluorophenoxy)ethanone?
The IUPAC name of 1-(2-tert-butyl-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(4-fluorophenoxy)ethanone (CID 90501349) is 1-(2-tert-butyl-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(4-fluorophenoxy)ethanone.
What is the SMILES notation for 1-(2-tert-butyl-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(4-fluorophenoxy)ethanone?
The canonical SMILES for 1-(2-tert-butyl-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(4-fluorophenoxy)ethanone is CC(C)(C)n1nc2c(c1-n1cccc1)CN(C(=O)COc1ccc(F)cc1)C2.
What is the InChIKey of 1-(2-tert-butyl-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(4-fluorophenoxy)ethanone?
The InChIKey is SUTZRZAJKNQGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-21(2,3)26-20(24-10-4-5-11-24)17-12-25(13-18(17)23-26)19(27)14-28-16-8-6-15(22)7-9-16/h4-11H,12-14H2,1-3H3.
What are the key properties of 1-(2-tert-butyl-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(4-fluorophenoxy)ethanone?
1-(2-tert-butyl-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(4-fluorophenoxy)ethanone has a molecular weight of 382.44 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(4-fluorophenoxy)ethanone is sourced from PubChem (CID 90501349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).