N-[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethoxy]thiophene-2-carboxamide

C17H15N3O3S — CID 143381682

IUPACN-[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethoxy]thiophene-2-carboxamide
SMILESCc1c(C(=O)CONC(=O)c2cccs2)cnn1-c1ccccc1
InChIInChI=1S/C17H15N3O3S/c1-12-14(10-18-20(12)13-6-3-2-4-7-13)15(21)11-23-19-17(22)16-8-5-9-24-16/h2-10H,11H2,1H3,(H,19,22)
InChIKeyFLYLRGVUBMRFCD-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.79
Rot. Bonds6

About N-[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethoxy]thiophene-2-carboxamide

N-[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethoxy]thiophene-2-carboxamide (PubChem CID 143381682) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethoxy]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethoxy]thiophene-2-carboxamide
PubChem CID143381682
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC NameN-[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethoxy]thiophene-2-carboxamide
SMILESCc1c(C(=O)CONC(=O)c2cccs2)cnn1-c1ccccc1
InChIInChI=1S/C17H15N3O3S/c1-12-14(10-18-20(12)13-6-3-2-4-7-13)15(21)11-23-19-17(22)16-8-5-9-24-16/h2-10H,11H2,1H3,(H,19,22)
InChIKeyFLYLRGVUBMRFCD-UHFFFAOYSA-N
XLogP2.79
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(5-methyl-1-phenylpyrazol-4-yl)-2,4-dioxobutanoate
CID 4736888
5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 108737353
N,1-diphenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide;hydrochloride
CID 146120934
(2-oxo-2-thiophen-2-ylethyl) 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 2667731
methyl 4-methyl-3-[[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethyl]amino]benzoate
CID 58861293
ethyl 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoate
CID 38074348
N-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]thiophene-2-carboxamide
CID 1350909
5-methyl-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 11098783
5-methyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 46139091
(5-methyl-1-phenylpyrazol-4-yl)-phenylmethanone
CID 10706606
5-methyl-N-(2-methylbutan-2-yl)-1-phenylpyrazole-4-carboxamide
CID 46554811
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 7800048

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethoxy]thiophene-2-carboxamide?
The IUPAC name of N-[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethoxy]thiophene-2-carboxamide (CID 143381682) is N-[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethoxy]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethoxy]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethoxy]thiophene-2-carboxamide is Cc1c(C(=O)CONC(=O)c2cccs2)cnn1-c1ccccc1.
What is the InChIKey of N-[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethoxy]thiophene-2-carboxamide?
The InChIKey is FLYLRGVUBMRFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-12-14(10-18-20(12)13-6-3-2-4-7-13)15(21)11-23-19-17(22)16-8-5-9-24-16/h2-10H,11H2,1H3,(H,19,22).
What are the key properties of N-[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethoxy]thiophene-2-carboxamide?
N-[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethoxy]thiophene-2-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethoxy]thiophene-2-carboxamide is sourced from PubChem (CID 143381682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).