5-[(2-chloro-6-methylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide

C19H20ClN3O3 — CID 19331115

IUPAC5-[(2-chloro-6-methylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide
SMILESCCn1ccc(CNC(=O)c2ccc(COc3c(C)cccc3Cl)o2)n1
InChIInChI=1S/C19H20ClN3O3/c1-3-23-10-9-14(22-23)11-21-19(24)17-8-7-15(26-17)12-25-18-13(2)5-4-6-16(18)20/h4-10H,3,11-12H2,1-2H3,(H,21,24)
InChIKeyJPFVWOMEINVQFM-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.97
Rot. Bonds7

About 5-[(2-chloro-6-methylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide

5-[(2-chloro-6-methylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide (PubChem CID 19331115) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is 5-[(2-chloro-6-methylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chloro-6-methylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide
PubChem CID19331115
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC Name5-[(2-chloro-6-methylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide
SMILESCCn1ccc(CNC(=O)c2ccc(COc3c(C)cccc3Cl)o2)n1
InChIInChI=1S/C19H20ClN3O3/c1-3-23-10-9-14(22-23)11-21-19(24)17-8-7-15(26-17)12-25-18-13(2)5-4-6-16(18)20/h4-10H,3,11-12H2,1-2H3,(H,21,24)
InChIKeyJPFVWOMEINVQFM-UHFFFAOYSA-N
XLogP3.97
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide
CID 19331041
5-[(2-chloro-6-methylphenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19571768
5-[(2-chloro-6-methylphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19459272
N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide
CID 19400734
N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide
CID 19405289
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide
CID 19409182
N-[(1-ethylpyrazol-3-yl)methyl]-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19331052
N-[(1-ethylpyrazol-3-yl)methyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416080
N-[3-(4-bromopyrazol-1-yl)propyl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide
CID 19297574
2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]benzamide
CID 19331013
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide
CID 19454899
5-[(2-chloro-6-methylphenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19459413

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-methylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-[(2-chloro-6-methylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide (CID 19331115) is 5-[(2-chloro-6-methylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2-chloro-6-methylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-[(2-chloro-6-methylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide is CCn1ccc(CNC(=O)c2ccc(COc3c(C)cccc3Cl)o2)n1.
What is the InChIKey of 5-[(2-chloro-6-methylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide?
The InChIKey is JPFVWOMEINVQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-3-23-10-9-14(22-23)11-21-19(24)17-8-7-15(26-17)12-25-18-13(2)5-4-6-16(18)20/h4-10H,3,11-12H2,1-2H3,(H,21,24).
What are the key properties of 5-[(2-chloro-6-methylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide?
5-[(2-chloro-6-methylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide has a molecular weight of 373.84 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-methylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 19331115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).