[5-(furan-2-yl)-1H-pyrazol-3-yl]-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone

C17H22N4O2 — CID 129461467

IUPAC[5-(furan-2-yl)-1H-pyrazol-3-yl]-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C17H22N4O2/c1-20-8-2-5-14(20)15-6-3-9-21(15)17(22)13-11-12(18-19-13)16-7-4-10-23-16/h4,7,10-11,14-15H,2-3,5-6,8-9H2,1H3,(H,18,19)/t14-,15-/m1/s1
InChIKeyGGFMNPNLCVUUKA-HUUCEWRRSA-N
MW314.39 g/mol
LogP2.37
Rot. Bonds3

About [5-(furan-2-yl)-1H-pyrazol-3-yl]-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone

[5-(furan-2-yl)-1H-pyrazol-3-yl]-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 129461467) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is [5-(furan-2-yl)-1H-pyrazol-3-yl]-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(furan-2-yl)-1H-pyrazol-3-yl]-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
PubChem CID129461467
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name[5-(furan-2-yl)-1H-pyrazol-3-yl]-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C17H22N4O2/c1-20-8-2-5-14(20)15-6-3-9-21(15)17(22)13-11-12(18-19-13)16-7-4-10-23-16/h4,7,10-11,14-15H,2-3,5-6,8-9H2,1H3,(H,18,19)/t14-,15-/m1/s1
InChIKeyGGFMNPNLCVUUKA-HUUCEWRRSA-N
XLogP2.37
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-2-methylpiperidine-3-carboxylic acid
CID 122115319
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone
CID 167949213
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119650968
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[2-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 167849665
[2-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 16668925
(4-tert-butylazepan-1-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 86962168
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CID 97077308
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95759149
[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 35555894
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 43056712
[5-(furan-2-yl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone
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Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone (CID 129461467) is [5-(furan-2-yl)-1H-pyrazol-3-yl]-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone is CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is GGFMNPNLCVUUKA-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-20-8-2-5-14(20)15-6-3-9-21(15)17(22)13-11-12(18-19-13)16-7-4-10-23-16/h4,7,10-11,14-15H,2-3,5-6,8-9H2,1H3,(H,18,19)/t14-,15-/m1/s1.
What are the key properties of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 314.39 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 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]-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 129461467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).