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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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).