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

C20H23N3O3 — CID 19290457

IUPACN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
SMILESCCn1ncc(CNC(=O)c2ccc(COc3ccccc3C)o2)c1C
InChIInChI=1S/C20H23N3O3/c1-4-23-15(3)16(12-22-23)11-21-20(24)19-10-9-17(26-19)13-25-18-8-6-5-7-14(18)2/h5-10,12H,4,11,13H2,1-3H3,(H,21,24)
InChIKeyBEWMPVQABHLOJZ-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.62
Rot. Bonds7

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

N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19290457) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
PubChem CID19290457
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
SMILESCCn1ncc(CNC(=O)c2ccc(COc3ccccc3C)o2)c1C
InChIInChI=1S/C20H23N3O3/c1-4-23-15(3)16(12-22-23)11-21-20(24)19-10-9-17(26-19)13-25-18-8-6-5-7-14(18)2/h5-10,12H,4,11,13H2,1-3H3,(H,21,24)
InChIKeyBEWMPVQABHLOJZ-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

5-[(4-chloro-2-methylphenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19290461
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19296501
5-[(4-butan-2-ylphenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19450499
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-[(4-chloro-2-methylphenoxy)methyl]furan-2-carboxamide
CID 19296812
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methyl-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19464611
5-[(2-chloro-6-methylphenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19571768
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide
CID 19571740
5-[(2-methylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide
CID 19455044
N-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 35326826
5-[(2-methylphenoxy)methyl]furan-2-carboxylate
CID 7015943
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19571696
N-(cyclobutylmethyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 95756411

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide (CID 19290457) is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide is CCn1ncc(CNC(=O)c2ccc(COc3ccccc3C)o2)c1C.
What is the InChIKey of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is BEWMPVQABHLOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-4-23-15(3)16(12-22-23)11-21-20(24)19-10-9-17(26-19)13-25-18-8-6-5-7-14(18)2/h5-10,12H,4,11,13H2,1-3H3,(H,21,24).
What are the key properties of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide?
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-5-[(2-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-5-methylpyrazol-4-yl)methyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19290457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).