5-[(2,5-dimethylphenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide

C20H23N3O3 — CID 19393388

IUPAC5-[(2,5-dimethylphenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide
SMILESCc1ccc(C)c(OCc2ccc(C(=O)Nc3c(C)nn(C)c3C)o2)c1
InChIInChI=1S/C20H23N3O3/c1-12-6-7-13(2)18(10-12)25-11-16-8-9-17(26-16)20(24)21-19-14(3)22-23(5)15(19)4/h6-10H,11H2,1-5H3,(H,21,24)
InChIKeyQQAAYUOQFOHKTB-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.08
Rot. Bonds5

About 5-[(2,5-dimethylphenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide

5-[(2,5-dimethylphenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide (PubChem CID 19393388) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 5-[(2,5-dimethylphenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2,5-dimethylphenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide
PubChem CID19393388
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name5-[(2,5-dimethylphenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide
SMILESCc1ccc(C)c(OCc2ccc(C(=O)Nc3c(C)nn(C)c3C)o2)c1
InChIInChI=1S/C20H23N3O3/c1-12-6-7-13(2)18(10-12)25-11-16-8-9-17(26-16)20(24)21-19-14(3)22-23(5)15(19)4/h6-10H,11H2,1-5H3,(H,21,24)
InChIKeyQQAAYUOQFOHKTB-UHFFFAOYSA-N
XLogP4.08
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-methyl-2-nitrophenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide
CID 19393403
5-[(4-chloro-2-methylphenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide
CID 19393497
5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide
CID 19393451
N-(2,6-dichlorophenyl)-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452643
5-[(2,4-dimethylphenoxy)methyl]-N-(2,5-dimethylpyrazol-3-yl)furan-2-carboxamide
CID 47070392
N-cyclopentyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452624
5-[(2,5-dimethylphenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19285027
5-[(2,5-dimethylphenoxy)methyl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]furan-2-carboxamide
CID 19337014
N-butyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452808
5-[(2,4-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19337889
N-(2-acetyl-4,5-dimethoxyphenyl)-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19580036
5-[(2,5-dimethylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide
CID 19452680

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylphenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide?
The IUPAC name of 5-[(2,5-dimethylphenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide (CID 19393388) is 5-[(2,5-dimethylphenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2,5-dimethylphenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide?
The canonical SMILES for 5-[(2,5-dimethylphenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide is Cc1ccc(C)c(OCc2ccc(C(=O)Nc3c(C)nn(C)c3C)o2)c1.
What is the InChIKey of 5-[(2,5-dimethylphenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide?
The InChIKey is QQAAYUOQFOHKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-12-6-7-13(2)18(10-12)25-11-16-8-9-17(26-16)20(24)21-19-14(3)22-23(5)15(19)4/h6-10H,11H2,1-5H3,(H,21,24).
What are the key properties of 5-[(2,5-dimethylphenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide?
5-[(2,5-dimethylphenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylphenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide is sourced from PubChem (CID 19393388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).