5-(4-chlorophenyl)-N-(2-ethylpyrazol-3-yl)thiophene-2-carboxamide

C16H14ClN3OS — CID 17462093

IUPAC5-(4-chlorophenyl)-N-(2-ethylpyrazol-3-yl)thiophene-2-carboxamide
SMILESCCn1nccc1NC(=O)c1ccc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C16H14ClN3OS/c1-2-20-15(9-10-18-20)19-16(21)14-8-7-13(22-14)11-3-5-12(17)6-4-11/h3-10H,2H2,1H3,(H,19,21)
InChIKeyFQKKKMWYGBDFPO-UHFFFAOYSA-N
MW331.83 g/mol
LogP4.54
Rot. Bonds4

About 5-(4-chlorophenyl)-N-(2-ethylpyrazol-3-yl)thiophene-2-carboxamide

5-(4-chlorophenyl)-N-(2-ethylpyrazol-3-yl)thiophene-2-carboxamide (PubChem CID 17462093) has the molecular formula C16H14ClN3OS and a molecular weight of 331.83 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(2-ethylpyrazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(2-ethylpyrazol-3-yl)thiophene-2-carboxamide
PubChem CID17462093
Molecular FormulaC16H14ClN3OS
Molecular Weight331.83 g/mol
Exact Mass331.05
IUPAC Name5-(4-chlorophenyl)-N-(2-ethylpyrazol-3-yl)thiophene-2-carboxamide
SMILESCCn1nccc1NC(=O)c1ccc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C16H14ClN3OS/c1-2-20-15(9-10-18-20)19-16(21)14-8-7-13(22-14)11-3-5-12(17)6-4-11/h3-10H,2H2,1H3,(H,19,21)
InChIKeyFQKKKMWYGBDFPO-UHFFFAOYSA-N
XLogP4.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(2-ethylpyrazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(2-ethylpyrazol-3-yl)thiophene-2-carboxamide (CID 17462093) is 5-(4-chlorophenyl)-N-(2-ethylpyrazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(2-ethylpyrazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(2-ethylpyrazol-3-yl)thiophene-2-carboxamide is CCn1nccc1NC(=O)c1ccc(-c2ccc(Cl)cc2)s1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(2-ethylpyrazol-3-yl)thiophene-2-carboxamide?
The InChIKey is FQKKKMWYGBDFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3OS/c1-2-20-15(9-10-18-20)19-16(21)14-8-7-13(22-14)11-3-5-12(17)6-4-11/h3-10H,2H2,1H3,(H,19,21).
What are the key properties of 5-(4-chlorophenyl)-N-(2-ethylpyrazol-3-yl)thiophene-2-carboxamide?
5-(4-chlorophenyl)-N-(2-ethylpyrazol-3-yl)thiophene-2-carboxamide has a molecular weight of 331.83 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(2-ethylpyrazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 17462093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).