5-(5-chlorothiophen-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazole-3-carboxamide

C18H18ClN3O3S — CID 110336666

IUPAC5-(5-chlorothiophen-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2cc(-c3ccc(Cl)s3)n(C)n2)cc1
InChIInChI=1S/C18H18ClN3O3S/c1-22-15(16-7-8-17(19)26-16)11-14(21-22)18(23)20-9-10-25-13-5-3-12(24-2)4-6-13/h3-8,11H,9-10H2,1-2H3,(H,20,23)
InChIKeyRWUVKMYOYPLECW-UHFFFAOYSA-N
MW391.88 g/mol
LogP3.62
Rot. Bonds7

About 5-(5-chlorothiophen-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazole-3-carboxamide

5-(5-chlorothiophen-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazole-3-carboxamide (PubChem CID 110336666) has the molecular formula C18H18ClN3O3S and a molecular weight of 391.88 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazole-3-carboxamide
PubChem CID110336666
Molecular FormulaC18H18ClN3O3S
Molecular Weight391.88 g/mol
Exact Mass391.08
IUPAC Name5-(5-chlorothiophen-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2cc(-c3ccc(Cl)s3)n(C)n2)cc1
InChIInChI=1S/C18H18ClN3O3S/c1-22-15(16-7-8-17(19)26-16)11-14(21-22)18(23)20-9-10-25-13-5-3-12(24-2)4-6-13/h3-8,11H,9-10H2,1-2H3,(H,20,23)
InChIKeyRWUVKMYOYPLECW-UHFFFAOYSA-N
XLogP3.62
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(5-chlorothiophen-2-yl)-1-methyl-N-propylpyrazole-3-carboxamide
CID 110336625
5-(5-chlorothiophen-2-yl)-1-methyl-N-(3-methylbutyl)pyrazole-3-carboxamide
CID 110336668
5-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]-1-methylpyrazole-3-carboxamide
CID 110336642
N-[2-(4-methoxyphenoxy)ethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 110372766
5-(4-methoxyphenyl)-N-(2-phenoxyethyl)-1,2-oxazole-3-carboxamide
CID 73254015
5-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide
CID 110336374
1-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-6-oxopyridazine-3-carboxamide
CID 121066856
5-(4-methoxyphenyl)-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 46977397
N-[2-(4-methoxyphenoxy)ethyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208280
3-[2-(4-methoxyphenoxy)ethylcarbamoyl]pyrazine-2-carboxylate
CID 7189406
5-amino-N-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazole-4-carboxamide
CID 82545915
N-[2-(4-fluorophenoxy)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 37361215

Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazole-3-carboxamide (CID 110336666) is 5-(5-chlorothiophen-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazole-3-carboxamide is COc1ccc(OCCNC(=O)c2cc(-c3ccc(Cl)s3)n(C)n2)cc1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is RWUVKMYOYPLECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3S/c1-22-15(16-7-8-17(19)26-16)11-14(21-22)18(23)20-9-10-25-13-5-3-12(24-2)4-6-13/h3-8,11H,9-10H2,1-2H3,(H,20,23).
What are the key properties of 5-(5-chlorothiophen-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazole-3-carboxamide?
5-(5-chlorothiophen-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 391.88 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110336666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).