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

C19H21N3O3 — CID 831746

IUPAC5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(Cn3nc(C)cc3C)o2)cc1
InChIInChI=1S/C19H21N3O3/c1-4-24-16-7-5-15(6-8-16)20-19(23)18-10-9-17(25-18)12-22-14(3)11-13(2)21-22/h5-11H,4,12H2,1-3H3,(H,20,23)
InChIKeyOVCNZDJBABGZFK-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.79
Rot. Bonds6

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

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide (PubChem CID 831746) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide
PubChem CID831746
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(Cn3nc(C)cc3C)o2)cc1
InChIInChI=1S/C19H21N3O3/c1-4-24-16-7-5-15(6-8-16)20-19(23)18-10-9-17(25-18)12-22-14(3)11-13(2)21-22/h5-11H,4,12H2,1-3H3,(H,20,23)
InChIKeyOVCNZDJBABGZFK-UHFFFAOYSA-N
XLogP3.79
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19466051
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-carboxamide
CID 4770745
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19451177
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 95749144
N-cyclopentyl-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 19466000
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 19466107
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide
CID 48980527
sodium 5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylate
CID 19616340
N-(2-bromo-4,6-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 4694399
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]phenyl]furan-2-carboxamide
CID 19614121
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19411485
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide
CID 19467777

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide?
The IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide (CID 831746) is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide?
The canonical SMILES for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide is CCOc1ccc(NC(=O)c2ccc(Cn3nc(C)cc3C)o2)cc1.
What is the InChIKey of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide?
The InChIKey is OVCNZDJBABGZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-4-24-16-7-5-15(6-8-16)20-19(23)18-10-9-17(25-18)12-22-14(3)11-13(2)21-22/h5-11H,4,12H2,1-3H3,(H,20,23).
What are the key properties of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide?
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 831746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).