[5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone

C17H17N5O4 — CID 90639019

IUPAC[5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone
SMILESCOc1ccc(OC2CCN(C(=O)c3cc(-c4ccco4)[nH]n3)C2)nn1
InChIInChI=1S/C17H17N5O4/c1-24-15-4-5-16(21-20-15)26-11-6-7-22(10-11)17(23)13-9-12(18-19-13)14-3-2-8-25-14/h2-5,8-9,11H,6-7,10H2,1H3,(H,18,19)
InChIKeyMDOBDMBUMXACOX-UHFFFAOYSA-N
MW355.35 g/mol
LogP1.76
Rot. Bonds5

About [5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone

[5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone (PubChem CID 90639019) has the molecular formula C17H17N5O4 and a molecular weight of 355.35 g/mol. Its IUPAC name is [5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone
PubChem CID90639019
Molecular FormulaC17H17N5O4
Molecular Weight355.35 g/mol
Exact Mass355.13
IUPAC Name[5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone
SMILESCOc1ccc(OC2CCN(C(=O)c3cc(-c4ccco4)[nH]n3)C2)nn1
InChIInChI=1S/C17H17N5O4/c1-24-15-4-5-16(21-20-15)26-11-6-7-22(10-11)17(23)13-9-12(18-19-13)14-3-2-8-25-14/h2-5,8-9,11H,6-7,10H2,1H3,(H,18,19)
InChIKeyMDOBDMBUMXACOX-UHFFFAOYSA-N
XLogP1.76
TPSA106.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-azabicyclo[4.1.0]heptan-3-yl-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 166245024
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 43056712
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 122258258
[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 35555894
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119541109
[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 90639018
[5-(furan-2-yl)-1H-pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120995824
[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 121190596
(4-tert-butylazepan-1-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 86962168
[5-(furan-2-yl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone
CID 35554692
[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 100633213
(2R)-4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]morpholine-2-carboxylic acid
CID 129415638

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone?
The IUPAC name of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone (CID 90639019) is [5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone?
The canonical SMILES for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone is COc1ccc(OC2CCN(C(=O)c3cc(-c4ccco4)[nH]n3)C2)nn1.
What is the InChIKey of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone?
The InChIKey is MDOBDMBUMXACOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O4/c1-24-15-4-5-16(21-20-15)26-11-6-7-22(10-11)17(23)13-9-12(18-19-13)14-3-2-8-25-14/h2-5,8-9,11H,6-7,10H2,1H3,(H,18,19).
What are the key properties of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone?
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone has a molecular weight of 355.35 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 90639019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).