5-[(2-chloro-6-methylphenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide

C20H22ClN3O3 — CID 19456427

IUPAC5-[(2-chloro-6-methylphenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide
SMILESCc1cccc(Cl)c1OCc1ccc(C(=O)N(C)Cc2cnn(C)c2C)o1
InChIInChI=1S/C20H22ClN3O3/c1-13-6-5-7-17(21)19(13)26-12-16-8-9-18(27-16)20(25)23(3)11-15-10-22-24(4)14(15)2/h5-10H,11-12H2,1-4H3
InChIKeyIXXVARCABCJBRS-UHFFFAOYSA-N
MW387.87 g/mol
LogP4.13
Rot. Bonds6

About 5-[(2-chloro-6-methylphenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide

5-[(2-chloro-6-methylphenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide (PubChem CID 19456427) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 5-[(2-chloro-6-methylphenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chloro-6-methylphenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide
PubChem CID19456427
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name5-[(2-chloro-6-methylphenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide
SMILESCc1cccc(Cl)c1OCc1ccc(C(=O)N(C)Cc2cnn(C)c2C)o1
InChIInChI=1S/C20H22ClN3O3/c1-13-6-5-7-17(21)19(13)26-12-16-8-9-18(27-16)20(25)23(3)11-15-10-22-24(4)14(15)2/h5-10H,11-12H2,1-4H3
InChIKeyIXXVARCABCJBRS-UHFFFAOYSA-N
XLogP4.13
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19456372
5-[(2-chloro-6-methylphenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19571768
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19460635
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methyl-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19464611
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-methyl-5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carboxamide
CID 19458540
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19460541
N-[3-(4-bromopyrazol-1-yl)propyl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide
CID 19297574
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-[(2-chlorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 19460794
5-[(2-chloro-6-methylphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19459272
5-[(2-chloro-6-methylphenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19459413
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19458277
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-[(4-chlorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 19458444

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-methylphenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide?
The IUPAC name of 5-[(2-chloro-6-methylphenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide (CID 19456427) is 5-[(2-chloro-6-methylphenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-[(2-chloro-6-methylphenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-[(2-chloro-6-methylphenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide is Cc1cccc(Cl)c1OCc1ccc(C(=O)N(C)Cc2cnn(C)c2C)o1.
What is the InChIKey of 5-[(2-chloro-6-methylphenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide?
The InChIKey is IXXVARCABCJBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-13-6-5-7-17(21)19(13)26-12-16-8-9-18(27-16)20(25)23(3)11-15-10-22-24(4)14(15)2/h5-10H,11-12H2,1-4H3.
What are the key properties of 5-[(2-chloro-6-methylphenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide?
5-[(2-chloro-6-methylphenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide has a molecular weight of 387.87 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-methylphenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 19456427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).