1,3-dihydro-2-benzofuran-5-yl-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone

C19H23N3O2 — CID 56779590

IUPAC1,3-dihydro-2-benzofuran-5-yl-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1cc(C)n(CC2CCCN2C(=O)c2ccc3c(c2)COC3)n1
InChIInChI=1S/C19H23N3O2/c1-13-8-14(2)22(20-13)10-18-4-3-7-21(18)19(23)15-5-6-16-11-24-12-17(16)9-15/h5-6,8-9,18H,3-4,7,10-12H2,1-2H3
InChIKeyDBEBRHQKCBBKRF-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.83
Rot. Bonds3

About 1,3-dihydro-2-benzofuran-5-yl-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone

1,3-dihydro-2-benzofuran-5-yl-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 56779590) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5-yl-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-5-yl-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID56779590
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1,3-dihydro-2-benzofuran-5-yl-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1cc(C)n(CC2CCCN2C(=O)c2ccc3c(c2)COC3)n1
InChIInChI=1S/C19H23N3O2/c1-13-8-14(2)22(20-13)10-18-4-3-7-21(18)19(23)15-5-6-16-11-24-12-17(16)9-15/h5-6,8-9,18H,3-4,7,10-12H2,1-2H3
InChIKeyDBEBRHQKCBBKRF-UHFFFAOYSA-N
XLogP2.83
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone (CID 56779590) is 1,3-dihydro-2-benzofuran-5-yl-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-5-yl-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for 1,3-dihydro-2-benzofuran-5-yl-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone is Cc1cc(C)n(CC2CCCN2C(=O)c2ccc3c(c2)COC3)n1.
What is the InChIKey of 1,3-dihydro-2-benzofuran-5-yl-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is DBEBRHQKCBBKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-8-14(2)22(20-13)10-18-4-3-7-21(18)19(23)15-5-6-16-11-24-12-17(16)9-15/h5-6,8-9,18H,3-4,7,10-12H2,1-2H3.
What are the key properties of 1,3-dihydro-2-benzofuran-5-yl-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
1,3-dihydro-2-benzofuran-5-yl-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 325.41 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2-benzofuran-5-yl-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 56779590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).