[3-(methoxymethyl)-1-benzofuran-2-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone

C19H21N3O3 — CID 95342641

IUPAC[3-(methoxymethyl)-1-benzofuran-2-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCOCc1c(C(=O)N2CCC[C@H]2Cn2cccn2)oc2ccccc12
InChIInChI=1S/C19H21N3O3/c1-24-13-16-15-7-2-3-8-17(15)25-18(16)19(23)22-11-4-6-14(22)12-21-10-5-9-20-21/h2-3,5,7-10,14H,4,6,11-13H2,1H3/t14-/m0/s1
InChIKeyIYSCHRYQTDTRJE-AWEZNQCLSA-N
MW339.39 g/mol
LogP3.08
Rot. Bonds5

About [3-(methoxymethyl)-1-benzofuran-2-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone

[3-(methoxymethyl)-1-benzofuran-2-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 95342641) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is [3-(methoxymethyl)-1-benzofuran-2-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(methoxymethyl)-1-benzofuran-2-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID95342641
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name[3-(methoxymethyl)-1-benzofuran-2-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCOCc1c(C(=O)N2CCC[C@H]2Cn2cccn2)oc2ccccc12
InChIInChI=1S/C19H21N3O3/c1-24-13-16-15-7-2-3-8-17(15)25-18(16)19(23)22-11-4-6-14(22)12-21-10-5-9-20-21/h2-3,5,7-10,14H,4,6,11-13H2,1H3/t14-/m0/s1
InChIKeyIYSCHRYQTDTRJE-AWEZNQCLSA-N
XLogP3.08
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methoxy-2-methyl-1-benzofuran-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95324260
[3-(methoxymethyl)-1-benzofuran-2-yl]-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 129487897
2-[4-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]thiomorpholin-3-yl]acetic acid
CID 119210070
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 18078263
(4-methylpyrimidin-5-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603803
N-(2-methoxyphenyl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 118766454
3-(methoxymethyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 51114297
(2R)-2-methoxy-2-phenyl-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95603784
2-methylsulfanyl-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 56779161
3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-2H-isoquinolin-1-one
CID 95603596
N-[[1-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
CID 55665868
[2-(aminomethyl)piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 119469689

Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)-1-benzofuran-2-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [3-(methoxymethyl)-1-benzofuran-2-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone (CID 95342641) is [3-(methoxymethyl)-1-benzofuran-2-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-(methoxymethyl)-1-benzofuran-2-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [3-(methoxymethyl)-1-benzofuran-2-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone is COCc1c(C(=O)N2CCC[C@H]2Cn2cccn2)oc2ccccc12.
What is the InChIKey of [3-(methoxymethyl)-1-benzofuran-2-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is IYSCHRYQTDTRJE-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-24-13-16-15-7-2-3-8-17(15)25-18(16)19(23)22-11-4-6-14(22)12-21-10-5-9-20-21/h2-3,5,7-10,14H,4,6,11-13H2,1H3/t14-/m0/s1.
What are the key properties of [3-(methoxymethyl)-1-benzofuran-2-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
[3-(methoxymethyl)-1-benzofuran-2-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 339.39 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)-1-benzofuran-2-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95342641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).