(4,5-dimethylfuran-2-yl)-[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]methanone

C16H21N3O3 — CID 97330769

IUPAC(4,5-dimethylfuran-2-yl)-[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCOC[C@H]2c2c(C)n[nH]c2C)oc1C
InChIInChI=1S/C16H21N3O3/c1-9-7-14(22-12(9)4)16(20)19-5-6-21-8-13(19)15-10(2)17-18-11(15)3/h7,13H,5-6,8H2,1-4H3,(H,17,18)/t13-/m0/s1
InChIKeyDKULINVNUZUOBH-ZDUSSCGKSA-N
MW303.36 g/mol
LogP2.45
Rot. Bonds2

About (4,5-dimethylfuran-2-yl)-[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]methanone

(4,5-dimethylfuran-2-yl)-[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]methanone (PubChem CID 97330769) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is (4,5-dimethylfuran-2-yl)-[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4,5-dimethylfuran-2-yl)-[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]methanone
PubChem CID97330769
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name(4,5-dimethylfuran-2-yl)-[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCOC[C@H]2c2c(C)n[nH]c2C)oc1C
InChIInChI=1S/C16H21N3O3/c1-9-7-14(22-12(9)4)16(20)19-5-6-21-8-13(19)15-10(2)17-18-11(15)3/h7,13H,5-6,8H2,1-4H3,(H,17,18)/t13-/m0/s1
InChIKeyDKULINVNUZUOBH-ZDUSSCGKSA-N
XLogP2.45
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4,5-dimethylfuran-2-yl)-[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]methanone with MolForge

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Related Compounds

[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(4-hydroxy-3-methyl-1H-pyrazol-5-yl)methanone
CID 137247350
[(3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 97330753
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(3-methylphenyl)ethanone
CID 75470410
[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(4-methoxythiophen-2-yl)methanone
CID 75470371
[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indol-2-yl)methanone
CID 97251879
[(3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indol-2-yl)methanone
CID 97251880
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 75470386
(5-chloro-1H-indazol-3-yl)-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]methanone
CID 167791061
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-3-phenylpropan-1-one
CID 75470373
[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indol-7-yl)methanone
CID 97330778
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-fluorophenyl)morpholine-4-carboxamide
CID 75470343
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-3-(2-methylphenyl)propan-1-one
CID 75470411

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethylfuran-2-yl)-[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]methanone?
The IUPAC name of (4,5-dimethylfuran-2-yl)-[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]methanone (CID 97330769) is (4,5-dimethylfuran-2-yl)-[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (4,5-dimethylfuran-2-yl)-[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]methanone?
The canonical SMILES for (4,5-dimethylfuran-2-yl)-[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]methanone is Cc1cc(C(=O)N2CCOC[C@H]2c2c(C)n[nH]c2C)oc1C.
What is the InChIKey of (4,5-dimethylfuran-2-yl)-[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]methanone?
The InChIKey is DKULINVNUZUOBH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-9-7-14(22-12(9)4)16(20)19-5-6-21-8-13(19)15-10(2)17-18-11(15)3/h7,13H,5-6,8H2,1-4H3,(H,17,18)/t13-/m0/s1.
What are the key properties of (4,5-dimethylfuran-2-yl)-[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]methanone?
(4,5-dimethylfuran-2-yl)-[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]methanone has a molecular weight of 303.36 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethylfuran-2-yl)-[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 97330769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).