N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methyl-5-[(2-methylphenoxy)methyl]furan-2-carboxamide

C20H22ClN3O3 — CID 19464611

IUPACN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methyl-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
SMILESCCn1ncc(Cl)c1CN(C)C(=O)c1ccc(COc2ccccc2C)o1
InChIInChI=1S/C20H22ClN3O3/c1-4-24-17(16(21)11-22-24)12-23(3)20(25)19-10-9-15(27-19)13-26-18-8-6-5-7-14(18)2/h5-11H,4,12-13H2,1-3H3
InChIKeyUJWYKJORFUYGOB-UHFFFAOYSA-N
MW387.87 g/mol
LogP4.31
Rot. Bonds7

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

N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methyl-5-[(2-methylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19464611) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methyl-5-[(2-methylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methyl-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
PubChem CID19464611
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC NameN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methyl-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
SMILESCCn1ncc(Cl)c1CN(C)C(=O)c1ccc(COc2ccccc2C)o1
InChIInChI=1S/C20H22ClN3O3/c1-4-24-17(16(21)11-22-24)12-23(3)20(25)19-10-9-15(27-19)13-26-18-8-6-5-7-14(18)2/h5-11H,4,12-13H2,1-3H3
InChIKeyUJWYKJORFUYGOB-UHFFFAOYSA-N
XLogP4.31
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-[(2-chlorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 19460794
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-[(2-chloro-4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 19464609
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methyl-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19460792
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19460306
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19290457
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylfuran-2-carboxamide
CID 19454345
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-[(4-chloro-2-methylphenoxy)methyl]furan-2-carboxamide
CID 19296812
N-(cyclopropylmethyl)-N-methyl-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 95748480
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19460541
5-[(2-methylphenoxy)methyl]furan-2-carboxylate
CID 7015943
5-[(2,4-dichlorophenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide
CID 19453926
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19460635

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methyl-5-[(2-methylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methyl-5-[(2-methylphenoxy)methyl]furan-2-carboxamide (CID 19464611) is N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methyl-5-[(2-methylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methyl-5-[(2-methylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methyl-5-[(2-methylphenoxy)methyl]furan-2-carboxamide is CCn1ncc(Cl)c1CN(C)C(=O)c1ccc(COc2ccccc2C)o1.
What is the InChIKey of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methyl-5-[(2-methylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is UJWYKJORFUYGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-4-24-17(16(21)11-22-24)12-23(3)20(25)19-10-9-15(27-19)13-26-18-8-6-5-7-14(18)2/h5-11H,4,12-13H2,1-3H3.
What are the key properties of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methyl-5-[(2-methylphenoxy)methyl]furan-2-carboxamide?
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methyl-5-[(2-methylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 387.87 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methyl-5-[(2-methylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19464611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).