[3-[(dimethylamino)methyl]morpholin-4-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone

C15H20N4O3 — CID 71785859

IUPAC[3-[(dimethylamino)methyl]morpholin-4-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
SMILESCN(C)CC1COCCN1C(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C15H20N4O3/c1-18(2)9-11-10-21-7-5-19(11)15(20)13-8-12(16-17-13)14-4-3-6-22-14/h3-4,6,8,11H,5,7,9-10H2,1-2H3,(H,16,17)
InChIKeyHAISMKLDHKUPQX-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.07
Rot. Bonds4

About [3-[(dimethylamino)methyl]morpholin-4-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone

[3-[(dimethylamino)methyl]morpholin-4-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone (PubChem CID 71785859) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is [3-[(dimethylamino)methyl]morpholin-4-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[3-[(dimethylamino)methyl]morpholin-4-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
PubChem CID71785859
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name[3-[(dimethylamino)methyl]morpholin-4-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
SMILESCN(C)CC1COCCN1C(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C15H20N4O3/c1-18(2)9-11-10-21-7-5-19(11)15(20)13-8-12(16-17-13)14-4-3-6-22-14/h3-4,6,8,11H,5,7,9-10H2,1-2H3,(H,16,17)
InChIKeyHAISMKLDHKUPQX-UHFFFAOYSA-N
XLogP1.07
TPSA74.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(furan-2-yl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone
CID 35554692
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119650968
(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]-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129461467
[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 35555894
[3-[(dimethylamino)methyl]morpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;formic acid
CID 71786025
(4-tert-butylazepan-1-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 86962168
[(2R)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 97077308
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
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119541109
3-azabicyclo[4.1.0]heptan-3-yl-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 166245024

Frequently Asked Questions

What is the IUPAC name of [3-[(dimethylamino)methyl]morpholin-4-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
The IUPAC name of [3-[(dimethylamino)methyl]morpholin-4-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone (CID 71785859) is [3-[(dimethylamino)methyl]morpholin-4-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for [3-[(dimethylamino)methyl]morpholin-4-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
The canonical SMILES for [3-[(dimethylamino)methyl]morpholin-4-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone is CN(C)CC1COCCN1C(=O)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of [3-[(dimethylamino)methyl]morpholin-4-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
The InChIKey is HAISMKLDHKUPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-18(2)9-11-10-21-7-5-19(11)15(20)13-8-12(16-17-13)14-4-3-6-22-14/h3-4,6,8,11H,5,7,9-10H2,1-2H3,(H,16,17).
What are the key properties of [3-[(dimethylamino)methyl]morpholin-4-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
[3-[(dimethylamino)methyl]morpholin-4-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone has a molecular weight of 304.35 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(dimethylamino)methyl]morpholin-4-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 71785859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).