2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-(2-methyl-4,6-dihydrofuro[2,3-c]pyrrol-5-yl)ethanone

C20H20FN3O2 — CID 152801289

IUPAC2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-(2-methyl-4,6-dihydrofuro[2,3-c]pyrrol-5-yl)ethanone
SMILESCc1cc2c(o1)CN(C(=O)Cn1nc(-c3ccc(F)c(C)c3)cc1C)C2
InChIInChI=1S/C20H20FN3O2/c1-12-6-15(4-5-17(12)21)18-7-13(2)24(22-18)11-20(25)23-9-16-8-14(3)26-19(16)10-23/h4-8H,9-11H2,1-3H3
InChIKeySNPNNTNSHOSTKB-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.75
Rot. Bonds3

About 2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-(2-methyl-4,6-dihydrofuro[2,3-c]pyrrol-5-yl)ethanone

2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-(2-methyl-4,6-dihydrofuro[2,3-c]pyrrol-5-yl)ethanone (PubChem CID 152801289) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-(2-methyl-4,6-dihydrofuro[2,3-c]pyrrol-5-yl)ethanone.

Molecular Properties

Compound Name2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-(2-methyl-4,6-dihydrofuro[2,3-c]pyrrol-5-yl)ethanone
PubChem CID152801289
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-(2-methyl-4,6-dihydrofuro[2,3-c]pyrrol-5-yl)ethanone
SMILESCc1cc2c(o1)CN(C(=O)Cn1nc(-c3ccc(F)c(C)c3)cc1C)C2
InChIInChI=1S/C20H20FN3O2/c1-12-6-15(4-5-17(12)21)18-7-13(2)24(22-18)11-20(25)23-9-16-8-14(3)26-19(16)10-23/h4-8H,9-11H2,1-3H3
InChIKeySNPNNTNSHOSTKB-UHFFFAOYSA-N
XLogP3.75
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-(2-methyl-4,6-dihydrofuro[2,3-c]pyrrol-5-yl)ethanone?
The IUPAC name of 2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-(2-methyl-4,6-dihydrofuro[2,3-c]pyrrol-5-yl)ethanone (CID 152801289) is 2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-(2-methyl-4,6-dihydrofuro[2,3-c]pyrrol-5-yl)ethanone.
What is the SMILES notation for 2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-(2-methyl-4,6-dihydrofuro[2,3-c]pyrrol-5-yl)ethanone?
The canonical SMILES for 2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-(2-methyl-4,6-dihydrofuro[2,3-c]pyrrol-5-yl)ethanone is Cc1cc2c(o1)CN(C(=O)Cn1nc(-c3ccc(F)c(C)c3)cc1C)C2.
What is the InChIKey of 2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-(2-methyl-4,6-dihydrofuro[2,3-c]pyrrol-5-yl)ethanone?
The InChIKey is SNPNNTNSHOSTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-12-6-15(4-5-17(12)21)18-7-13(2)24(22-18)11-20(25)23-9-16-8-14(3)26-19(16)10-23/h4-8H,9-11H2,1-3H3.
What are the key properties of 2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-(2-methyl-4,6-dihydrofuro[2,3-c]pyrrol-5-yl)ethanone?
2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-(2-methyl-4,6-dihydrofuro[2,3-c]pyrrol-5-yl)ethanone has a molecular weight of 353.40 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-(2-methyl-4,6-dihydrofuro[2,3-c]pyrrol-5-yl)ethanone is sourced from PubChem (CID 152801289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).