N-(2,5-dimethylpyrazol-3-yl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide

C18H19N3O3S — CID 19502995

IUPACN-(2,5-dimethylpyrazol-3-yl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
SMILESCOc1ccc(OCc2csc(C(=O)Nc3cc(C)nn3C)c2)cc1
InChIInChI=1S/C18H19N3O3S/c1-12-8-17(21(2)20-12)19-18(22)16-9-13(11-25-16)10-24-15-6-4-14(23-3)5-7-15/h4-9,11H,10H2,1-3H3,(H,19,22)
InChIKeyPNAYEXMZJRJGKB-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.63
Rot. Bonds6

About N-(2,5-dimethylpyrazol-3-yl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide

N-(2,5-dimethylpyrazol-3-yl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19502995) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
PubChem CID19502995
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
SMILESCOc1ccc(OCc2csc(C(=O)Nc3cc(C)nn3C)c2)cc1
InChIInChI=1S/C18H19N3O3S/c1-12-8-17(21(2)20-12)19-18(22)16-9-13(11-25-16)10-24-15-6-4-14(23-3)5-7-15/h4-9,11H,10H2,1-3H3,(H,19,22)
InChIKeyPNAYEXMZJRJGKB-UHFFFAOYSA-N
XLogP3.63
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2,6-dimethylphenoxy)methyl]-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-carboxamide
CID 19488732
4-[(4-fluorophenoxy)methyl]-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxamide
CID 19469603
4-[(3,4-dimethylphenoxy)methyl]-N-(5-methyl-2-propylpyrazol-3-yl)thiophene-2-carboxamide
CID 19469358
N-(5-bromo-2-pyridinyl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19499167
4-[(2,3-dimethylphenoxy)methyl]-N-(5-methyl-2-propylpyrazol-3-yl)thiophene-2-carboxamide
CID 19495414
N-cycloheptyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19499174
N-cyclohexyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19499225
N-(4-methoxyphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19498782
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19499191
4-[(3-methoxyphenoxy)methyl]-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 19500970
4-[(4-chlorophenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19503307
[4-[(4-methoxyphenoxy)methyl]thiophen-2-yl]-pyrrolidin-1-ylmethanone
CID 19499165

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide (CID 19502995) is N-(2,5-dimethylpyrazol-3-yl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide is COc1ccc(OCc2csc(C(=O)Nc3cc(C)nn3C)c2)cc1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is PNAYEXMZJRJGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-12-8-17(21(2)20-12)19-18(22)16-9-13(11-25-16)10-24-15-6-4-14(23-3)5-7-15/h4-9,11H,10H2,1-3H3,(H,19,22).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide?
N-(2,5-dimethylpyrazol-3-yl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19502995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).