3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carbonyl]-2-methyl-6,7-dihydro-5H-1-benzofuran-4-one

C19H23N3O3 — CID 91842294

IUPAC3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carbonyl]-2-methyl-6,7-dihydro-5H-1-benzofuran-4-one
SMILESCc1cc(C)n(C2CCN(C(=O)c3c(C)oc4c3C(=O)CCC4)C2)n1
InChIInChI=1S/C19H23N3O3/c1-11-9-12(2)22(20-11)14-7-8-21(10-14)19(24)17-13(3)25-16-6-4-5-15(23)18(16)17/h9,14H,4-8,10H2,1-3H3
InChIKeyQIJWLLPBNVHYQN-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.01
Rot. Bonds2

About 3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carbonyl]-2-methyl-6,7-dihydro-5H-1-benzofuran-4-one

3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carbonyl]-2-methyl-6,7-dihydro-5H-1-benzofuran-4-one (PubChem CID 91842294) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carbonyl]-2-methyl-6,7-dihydro-5H-1-benzofuran-4-one.

Molecular Properties

Compound Name3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carbonyl]-2-methyl-6,7-dihydro-5H-1-benzofuran-4-one
PubChem CID91842294
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carbonyl]-2-methyl-6,7-dihydro-5H-1-benzofuran-4-one
SMILESCc1cc(C)n(C2CCN(C(=O)c3c(C)oc4c3C(=O)CCC4)C2)n1
InChIInChI=1S/C19H23N3O3/c1-11-9-12(2)22(20-11)14-7-8-21(10-14)19(24)17-13(3)25-16-6-4-5-15(23)18(16)17/h9,14H,4-8,10H2,1-3H3
InChIKeyQIJWLLPBNVHYQN-UHFFFAOYSA-N
XLogP3.01
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carbonyl]-2-methyl-6,7-dihydro-5H-1-benzofuran-4-one 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

6-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 97284744
[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 118783319
[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 96576599
1-benzofuran-2-yl-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95606705
(1R,5S)-6-(2-methoxyethyl)-3-(2-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133131393
[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95354154
[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-indolizin-3-ylmethanone
CID 162628843
[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 72877286
(2R)-2-(2,5-dimethylfuran-3-yl)-1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 95294144
3-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidine-1-carbonyl]-2-methyl-6,7-dihydro-5H-1-benzofuran-4-one
CID 97152058
[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(2-propan-2-yl-1,3-benzoxazol-5-yl)methanone
CID 97270049
3-methyl-2-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one
CID 120997751

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carbonyl]-2-methyl-6,7-dihydro-5H-1-benzofuran-4-one?
The IUPAC name of 3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carbonyl]-2-methyl-6,7-dihydro-5H-1-benzofuran-4-one (CID 91842294) is 3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carbonyl]-2-methyl-6,7-dihydro-5H-1-benzofuran-4-one.
What is the SMILES notation for 3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carbonyl]-2-methyl-6,7-dihydro-5H-1-benzofuran-4-one?
The canonical SMILES for 3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carbonyl]-2-methyl-6,7-dihydro-5H-1-benzofuran-4-one is Cc1cc(C)n(C2CCN(C(=O)c3c(C)oc4c3C(=O)CCC4)C2)n1.
What is the InChIKey of 3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carbonyl]-2-methyl-6,7-dihydro-5H-1-benzofuran-4-one?
The InChIKey is QIJWLLPBNVHYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-11-9-12(2)22(20-11)14-7-8-21(10-14)19(24)17-13(3)25-16-6-4-5-15(23)18(16)17/h9,14H,4-8,10H2,1-3H3.
What are the key properties of 3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carbonyl]-2-methyl-6,7-dihydro-5H-1-benzofuran-4-one?
3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carbonyl]-2-methyl-6,7-dihydro-5H-1-benzofuran-4-one has a molecular weight of 341.41 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carbonyl]-2-methyl-6,7-dihydro-5H-1-benzofuran-4-one is sourced from PubChem (CID 91842294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).