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

C21H25N3O4 — CID 19466841

IUPACN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
SMILESCCOc1ccc(OCc2ccc(C(=O)NC(C)c3cn(C)nc3C)o2)cc1
InChIInChI=1S/C21H25N3O4/c1-5-26-16-6-8-17(9-7-16)27-13-18-10-11-20(28-18)21(25)22-14(2)19-12-24(4)23-15(19)3/h6-12,14H,5,13H2,1-4H3,(H,22,25)
InChIKeyIVFXMXPPZSPHST-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.79
Rot. Bonds8

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

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide (PubChem CID 19466841) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
PubChem CID19466841
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
SMILESCCOc1ccc(OCc2ccc(C(=O)NC(C)c3cn(C)nc3C)o2)cc1
InChIInChI=1S/C21H25N3O4/c1-5-26-16-6-8-17(9-7-16)27-13-18-10-11-20(28-18)21(25)22-14(2)19-12-24(4)23-15(19)3/h6-12,14H,5,13H2,1-4H3,(H,22,25)
InChIKeyIVFXMXPPZSPHST-UHFFFAOYSA-N
XLogP3.79
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19466908
5-[(2,6-dimethylphenoxy)methyl]-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]furan-2-carboxamide
CID 19466860
5-[(2,6-dimethylphenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]furan-2-carboxamide
CID 19462894
N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448194
5-[(2-bromophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]furan-2-carboxamide
CID 19462845
4-[(4-ethoxyphenoxy)methyl]-N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]benzamide
CID 1235903
5-[(4-tert-butylphenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]furan-2-carboxamide
CID 19452492
5-[(4-ethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 5104781
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19462856
N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19462624
N-(3-methylbutan-2-yl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 43048903
N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19292784

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide (CID 19466841) is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide is CCOc1ccc(OCc2ccc(C(=O)NC(C)c3cn(C)nc3C)o2)cc1.
What is the InChIKey of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide?
The InChIKey is IVFXMXPPZSPHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-5-26-16-6-8-17(9-7-16)27-13-18-10-11-20(28-18)21(25)22-14(2)19-12-24(4)23-15(19)3/h6-12,14H,5,13H2,1-4H3,(H,22,25).
What are the key properties of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide?
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19466841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).