5-[(2-chlorophenoxy)methyl]-N-(2-cyclopentyl-5-methylpyrazol-3-yl)furan-2-carboxamide

C21H22ClN3O3 — CID 35535968

IUPAC5-[(2-chlorophenoxy)methyl]-N-(2-cyclopentyl-5-methylpyrazol-3-yl)furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(COc3ccccc3Cl)o2)n(C2CCCC2)n1
InChIInChI=1S/C21H22ClN3O3/c1-14-12-20(25(24-14)15-6-2-3-7-15)23-21(26)19-11-10-16(28-19)13-27-18-9-5-4-8-17(18)22/h4-5,8-12,15H,2-3,6-7,13H2,1H3,(H,23,26)
InChIKeySEECSUWKLHEQAB-UHFFFAOYSA-N
MW399.88 g/mol
LogP5.38
Rot. Bonds6

About 5-[(2-chlorophenoxy)methyl]-N-(2-cyclopentyl-5-methylpyrazol-3-yl)furan-2-carboxamide

5-[(2-chlorophenoxy)methyl]-N-(2-cyclopentyl-5-methylpyrazol-3-yl)furan-2-carboxamide (PubChem CID 35535968) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is 5-[(2-chlorophenoxy)methyl]-N-(2-cyclopentyl-5-methylpyrazol-3-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorophenoxy)methyl]-N-(2-cyclopentyl-5-methylpyrazol-3-yl)furan-2-carboxamide
PubChem CID35535968
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC Name5-[(2-chlorophenoxy)methyl]-N-(2-cyclopentyl-5-methylpyrazol-3-yl)furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(COc3ccccc3Cl)o2)n(C2CCCC2)n1
InChIInChI=1S/C21H22ClN3O3/c1-14-12-20(25(24-14)15-6-2-3-7-15)23-21(26)19-11-10-16(28-19)13-27-18-9-5-4-8-17(18)22/h4-5,8-12,15H,2-3,6-7,13H2,1H3,(H,23,26)
InChIKeySEECSUWKLHEQAB-UHFFFAOYSA-N
XLogP5.38
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.88
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-chlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
CID 6458696
methyl 4-[[5-[(2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-1,3-dimethylpyrazole-5-carboxylate
CID 95748747
5-[(2-chlorophenoxy)methyl]-N-[(3,4-dichlorophenyl)methyl]furan-2-carboxamide
CID 4139417
5-[(2-chlorophenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide
CID 19457050
5-[(2-chlorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide
CID 1235920
5-[(2-chlorophenoxy)methyl]-N-(3-hydroxyphenyl)furan-2-carboxamide
CID 19458803
5-[(2-chlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide
CID 19458742
5-[(2-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide
CID 19458743
5-[(2,4-dimethylphenoxy)methyl]-N-(2,5-dimethylpyrazol-3-yl)furan-2-carboxamide
CID 47070392
N-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19454983
N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-fluorobenzamide
CID 39853458
5-[(2-chlorophenoxy)methyl]-N-[1-(cyanomethyl)pyrazol-3-yl]furan-2-carboxamide
CID 95754701

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenoxy)methyl]-N-(2-cyclopentyl-5-methylpyrazol-3-yl)furan-2-carboxamide?
The IUPAC name of 5-[(2-chlorophenoxy)methyl]-N-(2-cyclopentyl-5-methylpyrazol-3-yl)furan-2-carboxamide (CID 35535968) is 5-[(2-chlorophenoxy)methyl]-N-(2-cyclopentyl-5-methylpyrazol-3-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2-chlorophenoxy)methyl]-N-(2-cyclopentyl-5-methylpyrazol-3-yl)furan-2-carboxamide?
The canonical SMILES for 5-[(2-chlorophenoxy)methyl]-N-(2-cyclopentyl-5-methylpyrazol-3-yl)furan-2-carboxamide is Cc1cc(NC(=O)c2ccc(COc3ccccc3Cl)o2)n(C2CCCC2)n1.
What is the InChIKey of 5-[(2-chlorophenoxy)methyl]-N-(2-cyclopentyl-5-methylpyrazol-3-yl)furan-2-carboxamide?
The InChIKey is SEECSUWKLHEQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c1-14-12-20(25(24-14)15-6-2-3-7-15)23-21(26)19-11-10-16(28-19)13-27-18-9-5-4-8-17(18)22/h4-5,8-12,15H,2-3,6-7,13H2,1H3,(H,23,26).
What are the key properties of 5-[(2-chlorophenoxy)methyl]-N-(2-cyclopentyl-5-methylpyrazol-3-yl)furan-2-carboxamide?
5-[(2-chlorophenoxy)methyl]-N-(2-cyclopentyl-5-methylpyrazol-3-yl)furan-2-carboxamide has a molecular weight of 399.88 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenoxy)methyl]-N-(2-cyclopentyl-5-methylpyrazol-3-yl)furan-2-carboxamide is sourced from PubChem (CID 35535968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).