[5-(furan-2-yl)-1H-pyrazol-3-yl]-[(3S,4R)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]methanone

C19H19N3O3 — CID 166294463

IUPAC[5-(furan-2-yl)-1H-pyrazol-3-yl]-[(3S,4R)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]methanone
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N1C[C@@H](CO)[C@H](c2ccccc2)C1
InChIInChI=1S/C19H19N3O3/c23-12-14-10-22(11-15(14)13-5-2-1-3-6-13)19(24)17-9-16(20-21-17)18-7-4-8-25-18/h1-9,14-15,23H,10-12H2,(H,20,21)/t14-,15-/m0/s1
InChIKeyFDYHMMVSPIKJLH-GJZGRUSLSA-N
MW337.38 g/mol
LogP2.52
Rot. Bonds4

About [5-(furan-2-yl)-1H-pyrazol-3-yl]-[(3S,4R)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]methanone

[5-(furan-2-yl)-1H-pyrazol-3-yl]-[(3S,4R)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]methanone (PubChem CID 166294463) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is [5-(furan-2-yl)-1H-pyrazol-3-yl]-[(3S,4R)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(furan-2-yl)-1H-pyrazol-3-yl]-[(3S,4R)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]methanone
PubChem CID166294463
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name[5-(furan-2-yl)-1H-pyrazol-3-yl]-[(3S,4R)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]methanone
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N1C[C@@H](CO)[C@H](c2ccccc2)C1
InChIInChI=1S/C19H19N3O3/c23-12-14-10-22(11-15(14)13-5-2-1-3-6-13)19(24)17-9-16(20-21-17)18-7-4-8-25-18/h1-9,14-15,23H,10-12H2,(H,20,21)/t14-,15-/m0/s1
InChIKeyFDYHMMVSPIKJLH-GJZGRUSLSA-N
XLogP2.52
TPSA82.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 51896797
[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone
CID 51896800
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone
CID 120744184
[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 35555894
1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122118877
[5-(furan-2-yl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone
CID 35554692
4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]morpholine-2-carboxylic acid
CID 119239257
(2R)-4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]morpholine-2-carboxylic acid
CID 129415638
2-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]morpholin-2-yl]acetic acid
CID 119248125
5-(furan-2-yl)-N-[(1R,2S)-2-phenylcyclopropyl]-1H-pyrazole-3-carboxamide
CID 167825291
3-azabicyclo[4.1.0]heptan-3-yl-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 166245024
(3-cyclohexylsulfonylazetidin-1-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 90593955

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[(3S,4R)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]methanone?
The IUPAC name of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[(3S,4R)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]methanone (CID 166294463) is [5-(furan-2-yl)-1H-pyrazol-3-yl]-[(3S,4R)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[(3S,4R)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]methanone?
The canonical SMILES for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[(3S,4R)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]methanone is O=C(c1cc(-c2ccco2)[nH]n1)N1C[C@@H](CO)[C@H](c2ccccc2)C1.
What is the InChIKey of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[(3S,4R)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]methanone?
The InChIKey is FDYHMMVSPIKJLH-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-12-14-10-22(11-15(14)13-5-2-1-3-6-13)19(24)17-9-16(20-21-17)18-7-4-8-25-18/h1-9,14-15,23H,10-12H2,(H,20,21)/t14-,15-/m0/s1.
What are the key properties of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[(3S,4R)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]methanone?
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[(3S,4R)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]methanone has a molecular weight of 337.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[(3S,4R)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 166294463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).