N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4-methylthiophene-2-carboxamide

C16H14ClN3OS — CID 46107110

IUPACN-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)Nc2cc(C)n(-c3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C16H14ClN3OS/c1-10-7-14(22-9-10)16(21)18-15-8-11(2)20(19-15)13-5-3-12(17)4-6-13/h3-9H,1-2H3,(H,18,19,21)
InChIKeyDCSUVXKZRVYNGP-UHFFFAOYSA-N
MW331.83 g/mol
LogP4.46
Rot. Bonds3

About N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4-methylthiophene-2-carboxamide

N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4-methylthiophene-2-carboxamide (PubChem CID 46107110) has the molecular formula C16H14ClN3OS and a molecular weight of 331.83 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4-methylthiophene-2-carboxamide
PubChem CID46107110
Molecular FormulaC16H14ClN3OS
Molecular Weight331.83 g/mol
Exact Mass331.05
IUPAC NameN-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)Nc2cc(C)n(-c3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C16H14ClN3OS/c1-10-7-14(22-9-10)16(21)18-15-8-11(2)20(19-15)13-5-3-12(17)4-6-13/h3-9H,1-2H3,(H,18,19,21)
InChIKeyDCSUVXKZRVYNGP-UHFFFAOYSA-N
XLogP4.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 57278504
N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide
CID 46107097
6-chloro-N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]pyridine-3-carboxamide
CID 46107107
N-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methylthiophene-2-carboxamide
CID 46107021
N-(4-acetamidophenyl)-4-methylthiophene-2-carboxamide
CID 110861467
4-methyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 110865517
4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 34846987
N-[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]-1-benzothiophene-2-carboxamide
CID 46107140
2-bromo-N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzamide
CID 42880595
1-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9191703
4-[(4-chloro-2-methylphenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-3-yl)thiophene-2-carboxamide
CID 19486841
4-tert-butyl-N-(5-methyl-1-phenylpyrazol-3-yl)benzamide
CID 46107065

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4-methylthiophene-2-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4-methylthiophene-2-carboxamide (CID 46107110) is N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)Nc2cc(C)n(-c3ccc(Cl)cc3)n2)c1.
What is the InChIKey of N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4-methylthiophene-2-carboxamide?
The InChIKey is DCSUVXKZRVYNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3OS/c1-10-7-14(22-9-10)16(21)18-15-8-11(2)20(19-15)13-5-3-12(17)4-6-13/h3-9H,1-2H3,(H,18,19,21).
What are the key properties of N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4-methylthiophene-2-carboxamide?
N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4-methylthiophene-2-carboxamide has a molecular weight of 331.83 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 46107110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).