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

C17H17N3O3 — CID 167949213

IUPAC[5-(furan-2-yl)-1H-pyrazol-3-yl]-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1ccc(C2CCCN2C(=O)c2cc(-c3ccco3)[nH]n2)o1
InChIInChI=1S/C17H17N3O3/c1-11-6-7-16(23-11)14-4-2-8-20(14)17(21)13-10-12(18-19-13)15-5-3-9-22-15/h3,5-7,9-10,14H,2,4,8H2,1H3,(H,18,19)
InChIKeyXNEDXXWZPPSDRB-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.55
Rot. Bonds3

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

[5-(furan-2-yl)-1H-pyrazol-3-yl]-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 167949213) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is [5-(furan-2-yl)-1H-pyrazol-3-yl]-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(furan-2-yl)-1H-pyrazol-3-yl]-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone
PubChem CID167949213
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name[5-(furan-2-yl)-1H-pyrazol-3-yl]-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1ccc(C2CCCN2C(=O)c2cc(-c3ccco3)[nH]n2)o1
InChIInChI=1S/C17H17N3O3/c1-11-6-7-16(23-11)14-4-2-8-20(14)17(21)13-10-12(18-19-13)15-5-3-9-22-15/h3,5-7,9-10,14H,2,4,8H2,1H3,(H,18,19)
InChIKeyXNEDXXWZPPSDRB-UHFFFAOYSA-N
XLogP3.55
TPSA75.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(furan-2-yl)-1H-pyrazol-3-yl]-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129461467
(2R,3R)-1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-2-methylpiperidine-3-carboxylic acid
CID 122115319
[2-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 16668925
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[2-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 167849665
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119650968
[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95752168
[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 70743968
[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone
CID 70732393
[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 97130670
[2-(aminomethyl)pyrrolidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone
CID 119634590
[(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

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone (CID 167949213) is [5-(furan-2-yl)-1H-pyrazol-3-yl]-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone is Cc1ccc(C2CCCN2C(=O)c2cc(-c3ccco3)[nH]n2)o1.
What is the InChIKey of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is XNEDXXWZPPSDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-11-6-7-16(23-11)14-4-2-8-20(14)17(21)13-10-12(18-19-13)15-5-3-9-22-15/h3,5-7,9-10,14H,2,4,8H2,1H3,(H,18,19).
What are the key properties of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone?
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 311.34 g/mol, XLogP of 3.55, 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]-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 167949213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).