[5-(2-fluorophenyl)furan-2-yl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone

C19H18FN3O2 — CID 95569557

IUPAC[5-(2-fluorophenyl)furan-2-yl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCn1cc([C@H]2CCCN2C(=O)c2ccc(-c3ccccc3F)o2)cn1
InChIInChI=1S/C19H18FN3O2/c1-22-12-13(11-21-22)16-7-4-10-23(16)19(24)18-9-8-17(25-18)14-5-2-3-6-15(14)20/h2-3,5-6,8-9,11-12,16H,4,7,10H2,1H3/t16-/m1/s1
InChIKeyYSFUFSAIGXJJLW-MRXNPFEDSA-N
MW339.37 g/mol
LogP3.80
Rot. Bonds3

About [5-(2-fluorophenyl)furan-2-yl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone

[5-(2-fluorophenyl)furan-2-yl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 95569557) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is [5-(2-fluorophenyl)furan-2-yl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(2-fluorophenyl)furan-2-yl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
PubChem CID95569557
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name[5-(2-fluorophenyl)furan-2-yl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCn1cc([C@H]2CCCN2C(=O)c2ccc(-c3ccccc3F)o2)cn1
InChIInChI=1S/C19H18FN3O2/c1-22-12-13(11-21-22)16-7-4-10-23(16)19(24)18-9-8-17(25-18)14-5-2-3-6-15(14)20/h2-3,5-6,8-9,11-12,16H,4,7,10H2,1H3/t16-/m1/s1
InChIKeyYSFUFSAIGXJJLW-MRXNPFEDSA-N
XLogP3.80
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenyl)-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95569592
[5-(2-chlorophenyl)furan-2-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 70780277
[4-(methoxymethyl)phenyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95322352
2-[3-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 86888161
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 95569418
N-[[4-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenyl]methyl]acetamide
CID 56825059
[5-(2-fluorophenyl)furan-2-yl]-[4-(3-methyldiazirin-3-yl)piperidin-1-yl]methanone
CID 167817476
2-(4-methoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 56825079
2-(4-methoxyphenyl)-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95569574
N-[[4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenyl]methyl]acetamide
CID 95569536
[3-(2-methylphenyl)-1H-pyrazol-5-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95317102
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 95336725

Frequently Asked Questions

What is the IUPAC name of [5-(2-fluorophenyl)furan-2-yl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [5-(2-fluorophenyl)furan-2-yl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone (CID 95569557) is [5-(2-fluorophenyl)furan-2-yl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-(2-fluorophenyl)furan-2-yl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-(2-fluorophenyl)furan-2-yl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone is Cn1cc([C@H]2CCCN2C(=O)c2ccc(-c3ccccc3F)o2)cn1.
What is the InChIKey of [5-(2-fluorophenyl)furan-2-yl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is YSFUFSAIGXJJLW-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-22-12-13(11-21-22)16-7-4-10-23(16)19(24)18-9-8-17(25-18)14-5-2-3-6-15(14)20/h2-3,5-6,8-9,11-12,16H,4,7,10H2,1H3/t16-/m1/s1.
What are the key properties of [5-(2-fluorophenyl)furan-2-yl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
[5-(2-fluorophenyl)furan-2-yl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 339.37 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluorophenyl)furan-2-yl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95569557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).