[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone

C19H19N3O3 — CID 97112593

IUPAC[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3ccco3)[nH]n2)cc1
InChIInChI=1S/C19H19N3O3/c1-24-14-8-6-13(7-9-14)15-12-16(21-20-15)19(23)22-10-2-4-17(22)18-5-3-11-25-18/h3,5-9,11-12,17H,2,4,10H2,1H3,(H,20,21)/t17-/m0/s1
InChIKeyVYOXBILVHRZSTD-KRWDZBQOSA-N
MW337.38 g/mol
LogP3.66
Rot. Bonds4

About [(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone

[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone (PubChem CID 97112593) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is [(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
PubChem CID97112593
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3ccco3)[nH]n2)cc1
InChIInChI=1S/C19H19N3O3/c1-24-14-8-6-13(7-9-14)15-12-16(21-20-15)19(23)22-10-2-4-17(22)18-5-3-11-25-18/h3,5-9,11-12,17H,2,4,10H2,1H3,(H,20,21)/t17-/m0/s1
InChIKeyVYOXBILVHRZSTD-KRWDZBQOSA-N
XLogP3.66
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone with MolForge

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Related Compounds

[2-(furan-2-yl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 70713236
[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 95868392
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 70715141
[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 78862201
[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 20864968
[(2S)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 95851475
[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 97105096
[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 51550762
[4-(cyclopentylmethyl)piperazin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 70780803
1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 124500835
(3-phenyl-1H-pyrazol-5-yl)-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 95221174
[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone
CID 99808580

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of [(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone (CID 97112593) is [(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for [(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for [(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone is COc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3ccco3)[nH]n2)cc1.
What is the InChIKey of [(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone?
The InChIKey is VYOXBILVHRZSTD-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-24-14-8-6-13(7-9-14)15-12-16(21-20-15)19(23)22-10-2-4-17(22)18-5-3-11-25-18/h3,5-9,11-12,17H,2,4,10H2,1H3,(H,20,21)/t17-/m0/s1.
What are the key properties of [(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone?
[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone has a molecular weight of 337.38 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 97112593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).