N-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methylthiophene-2-carboxamide

C16H15N3O2S — CID 46107021

IUPACN-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methylthiophene-2-carboxamide
SMILESCOc1ccc(-n2ccc(NC(=O)c3cc(C)cs3)n2)cc1
InChIInChI=1S/C16H15N3O2S/c1-11-9-14(22-10-11)16(20)17-15-7-8-19(18-15)12-3-5-13(21-2)6-4-12/h3-10H,1-2H3,(H,17,18,20)
InChIKeyDRZPFYIUZQBKPT-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.50
Rot. Bonds4

About N-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methylthiophene-2-carboxamide

N-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methylthiophene-2-carboxamide (PubChem CID 46107021) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methylthiophene-2-carboxamide
PubChem CID46107021
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methylthiophene-2-carboxamide
SMILESCOc1ccc(-n2ccc(NC(=O)c3cc(C)cs3)n2)cc1
InChIInChI=1S/C16H15N3O2S/c1-11-9-14(22-10-11)16(20)17-15-7-8-19(18-15)12-3-5-13(21-2)6-4-12/h3-10H,1-2H3,(H,17,18,20)
InChIKeyDRZPFYIUZQBKPT-UHFFFAOYSA-N
XLogP3.50
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-methylphenyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide
CID 166359813
N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4-methylthiophene-2-carboxamide
CID 46107110
2-[[1-(4-methoxyphenyl)pyrazol-3-yl]amino]ethanol
CID 86587981
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(1-phenylpyrazol-3-yl)benzamide
CID 55537082
4-methoxy-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide
CID 161037055
1-(4-methoxyphenyl)-N-phenylpyrazol-3-amine
CID 21272312
ethyl 2-[4-[3-(4-methoxyanilino)pyrazol-1-yl]phenyl]acetate
CID 139631069
N-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide
CID 7693958
2-(4-methoxyphenyl)-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 18152667
1-amino-N-[1-(4-methylphenyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 167967330
N-(2-hydroxyphenyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 60572392
N-(4-acetamidophenyl)-4-methylthiophene-2-carboxamide
CID 110861467

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methylthiophene-2-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methylthiophene-2-carboxamide (CID 46107021) is N-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methylthiophene-2-carboxamide is COc1ccc(-n2ccc(NC(=O)c3cc(C)cs3)n2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methylthiophene-2-carboxamide?
The InChIKey is DRZPFYIUZQBKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-11-9-14(22-10-11)16(20)17-15-7-8-19(18-15)12-3-5-13(21-2)6-4-12/h3-10H,1-2H3,(H,17,18,20).
What are the key properties of N-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methylthiophene-2-carboxamide?
N-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methylthiophene-2-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 46107021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).