[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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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).