5-[(3,4-dimethylphenoxy)methyl]-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]furan-2-carboxamide

C24H28N4O5 — CID 19451030

IUPAC5-[(3,4-dimethylphenoxy)methyl]-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]furan-2-carboxamide
SMILESCCn1ncc(NC(=O)c2ccc(COc3ccc(C)c(C)c3)o2)c1C(=O)N1CCOCC1
InChIInChI=1S/C24H28N4O5/c1-4-28-22(24(30)27-9-11-31-12-10-27)20(14-25-28)26-23(29)21-8-7-19(33-21)15-32-18-6-5-16(2)17(3)13-18/h5-8,13-14H,4,9-12,15H2,1-3H3,(H,26,29)
InChIKeyMJMXUJPUACTELF-UHFFFAOYSA-N
MW452.51 g/mol
LogP3.42
Rot. Bonds7

About 5-[(3,4-dimethylphenoxy)methyl]-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]furan-2-carboxamide

5-[(3,4-dimethylphenoxy)methyl]-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]furan-2-carboxamide (PubChem CID 19451030) has the molecular formula C24H28N4O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is 5-[(3,4-dimethylphenoxy)methyl]-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3,4-dimethylphenoxy)methyl]-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]furan-2-carboxamide
PubChem CID19451030
Molecular FormulaC24H28N4O5
Molecular Weight452.51 g/mol
Exact Mass452.21
IUPAC Name5-[(3,4-dimethylphenoxy)methyl]-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]furan-2-carboxamide
SMILESCCn1ncc(NC(=O)c2ccc(COc3ccc(C)c(C)c3)o2)c1C(=O)N1CCOCC1
InChIInChI=1S/C24H28N4O5/c1-4-28-22(24(30)27-9-11-31-12-10-27)20(14-25-28)26-23(29)21-8-7-19(33-21)15-32-18-6-5-16(2)17(3)13-18/h5-8,13-14H,4,9-12,15H2,1-3H3,(H,26,29)
InChIKeyMJMXUJPUACTELF-UHFFFAOYSA-N
XLogP3.42
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19338875
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-[(4-ethylphenoxy)methyl]benzamide
CID 19338889
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-4-methoxybenzamide
CID 19338897
N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19337030
3,4-diethoxy-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]benzamide
CID 19338842
5-[(2,5-dimethylphenoxy)methyl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]furan-2-carboxamide
CID 19337014
methyl 4-[[5-[[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate
CID 19338688
4-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
CID 19339915
[4-[(3,4-dimethylphenoxy)methyl]phenyl]-morpholin-4-ylmethanone
CID 894880
methyl 4-[[5-[[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate
CID 19584630
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-methoxy-2-methylbenzamide
CID 19338984
methyl 4-[[5-[(3,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19450996

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethylphenoxy)methyl]-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]furan-2-carboxamide?
The IUPAC name of 5-[(3,4-dimethylphenoxy)methyl]-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]furan-2-carboxamide (CID 19451030) is 5-[(3,4-dimethylphenoxy)methyl]-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for 5-[(3,4-dimethylphenoxy)methyl]-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]furan-2-carboxamide?
The canonical SMILES for 5-[(3,4-dimethylphenoxy)methyl]-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]furan-2-carboxamide is CCn1ncc(NC(=O)c2ccc(COc3ccc(C)c(C)c3)o2)c1C(=O)N1CCOCC1.
What is the InChIKey of 5-[(3,4-dimethylphenoxy)methyl]-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]furan-2-carboxamide?
The InChIKey is MJMXUJPUACTELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5/c1-4-28-22(24(30)27-9-11-31-12-10-27)20(14-25-28)26-23(29)21-8-7-19(33-21)15-32-18-6-5-16(2)17(3)13-18/h5-8,13-14H,4,9-12,15H2,1-3H3,(H,26,29).
What are the key properties of 5-[(3,4-dimethylphenoxy)methyl]-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]furan-2-carboxamide?
5-[(3,4-dimethylphenoxy)methyl]-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]furan-2-carboxamide has a molecular weight of 452.51 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethylphenoxy)methyl]-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 19451030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).