N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-ethyl-4-methylthiophene-2-carboxamide

C19H21N3OS — CID 16575237

IUPACN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-ethyl-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1C
InChIInChI=1S/C19H21N3OS/c1-5-16-12(2)11-17(24-16)19(23)20-18-13(3)21-22(14(18)4)15-9-7-6-8-10-15/h6-11H,5H2,1-4H3,(H,20,23)
InChIKeyQOQJBKISZAWUOD-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.67
Rot. Bonds4

About N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-ethyl-4-methylthiophene-2-carboxamide

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-ethyl-4-methylthiophene-2-carboxamide (PubChem CID 16575237) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-ethyl-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-ethyl-4-methylthiophene-2-carboxamide
PubChem CID16575237
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-ethyl-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1C
InChIInChI=1S/C19H21N3OS/c1-5-16-12(2)11-17(24-16)19(23)20-18-13(3)21-22(14(18)4)15-9-7-6-8-10-15/h6-11H,5H2,1-4H3,(H,20,23)
InChIKeyQOQJBKISZAWUOD-UHFFFAOYSA-N
XLogP4.67
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate
CID 7651463
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 51111232
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 16575164
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4-dimethylbenzamide
CID 16575158
2,5-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-3-carboxamide
CID 16575328
5-ethyl-N-(2-ethyl-6-methylphenyl)-4-methylthiophene-2-carboxamide
CID 4820644
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(propanoylamino)benzamide
CID 21369239
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-ethylphenyl)acetamide
CID 99632483
N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-2-methylbenzamide
CID 51275540
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluorobenzamide
CID 51275491
5-ethyl-4-methyl-N-(4-phenoxyphenyl)thiophene-2-carboxamide
CID 7914877
5-ethyl-4-methyl-N-(4-methylphenyl)thiophene-2-carboxamide
CID 7733711

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-ethyl-4-methylthiophene-2-carboxamide?
The IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-ethyl-4-methylthiophene-2-carboxamide (CID 16575237) is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-ethyl-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-ethyl-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-ethyl-4-methylthiophene-2-carboxamide is CCc1sc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1C.
What is the InChIKey of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-ethyl-4-methylthiophene-2-carboxamide?
The InChIKey is QOQJBKISZAWUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-5-16-12(2)11-17(24-16)19(23)20-18-13(3)21-22(14(18)4)15-9-7-6-8-10-15/h6-11H,5H2,1-4H3,(H,20,23).
What are the key properties of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-ethyl-4-methylthiophene-2-carboxamide?
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-ethyl-4-methylthiophene-2-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-ethyl-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 16575237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).