N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide

C20H23N3O3 — CID 19467224

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
SMILESCCn1cc(CNC(=O)c2ccc(COc3cccc(C)c3)o2)c(C)n1
InChIInChI=1S/C20H23N3O3/c1-4-23-12-16(15(3)22-23)11-21-20(24)19-9-8-18(26-19)13-25-17-7-5-6-14(2)10-17/h5-10,12H,4,11,13H2,1-3H3,(H,21,24)
InChIKeyYJILDMKQGZYPCF-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.62
Rot. Bonds7

About N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19467224) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
PubChem CID19467224
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
SMILESCCn1cc(CNC(=O)c2ccc(COc3cccc(C)c3)o2)c(C)n1
InChIInChI=1S/C20H23N3O3/c1-4-23-12-16(15(3)22-23)11-21-20(24)19-9-8-18(26-19)13-25-17-7-5-6-14(2)10-17/h5-10,12H,4,11,13H2,1-3H3,(H,21,24)
InChIKeyYJILDMKQGZYPCF-UHFFFAOYSA-N
XLogP3.62
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19467233
5-[(4-chloro-2-methylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19288684
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19288625
5-[(3-methylphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19467228
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19332951
4-[(3-chlorophenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443972
N-(2,6-dimethylphenyl)-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19465597
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19467311
5-[(4-chloro-3-methylphenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19417001
4-[(4-chloro-3-methylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]benzamide
CID 19288698
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19333176
4-[(3,5-dimethylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444273

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide (CID 19467224) is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide is CCn1cc(CNC(=O)c2ccc(COc3cccc(C)c3)o2)c(C)n1.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is YJILDMKQGZYPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-4-23-12-16(15(3)22-23)11-21-20(24)19-9-8-18(26-19)13-25-17-7-5-6-14(2)10-17/h5-10,12H,4,11,13H2,1-3H3,(H,21,24).
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide?
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19467224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).