5-(3-hydroxyprop-1-ynyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-carboxamide

C14H15N3O2S — CID 103010436

IUPAC5-(3-hydroxyprop-1-ynyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-carboxamide
SMILESCn1nccc1CCNC(=O)c1csc(C#CCO)c1
InChIInChI=1S/C14H15N3O2S/c1-17-12(5-7-16-17)4-6-15-14(19)11-9-13(20-10-11)3-2-8-18/h5,7,9-10,18H,4,6,8H2,1H3,(H,15,19)
InChIKeyQDDZEJBIJLHVAP-UHFFFAOYSA-N
MW289.36 g/mol
LogP0.80
Rot. Bonds4

About 5-(3-hydroxyprop-1-ynyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-carboxamide

5-(3-hydroxyprop-1-ynyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-carboxamide (PubChem CID 103010436) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-carboxamide
PubChem CID103010436
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name5-(3-hydroxyprop-1-ynyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-carboxamide
SMILESCn1nccc1CCNC(=O)c1csc(C#CCO)c1
InChIInChI=1S/C14H15N3O2S/c1-17-12(5-7-16-17)4-6-15-14(19)11-9-13(20-10-11)3-2-8-18/h5,7,9-10,18H,4,6,8H2,1H3,(H,15,19)
InChIKeyQDDZEJBIJLHVAP-UHFFFAOYSA-N
XLogP0.80
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-carboxamide
CID 104693664
5-(3-hydroxyprop-1-ynyl)-N-(2-pyridin-4-ylethyl)thiophene-3-carboxamide
CID 79696892
N-[2-(5-chlorothiophen-2-yl)ethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 106042004
3,4,5-trifluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 104693722
5-(3-hydroxyprop-1-ynyl)-N-(3-methylsulfonylpropyl)thiophene-3-carboxamide
CID 79696359
5-(3-hydroxyprop-1-ynyl)-N-(2-phenoxyethyl)thiophene-3-carboxamide
CID 79690422
3-amino-4-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 103004037
2-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide
CID 104693681
N-[2-(ethylsulfamoyl)ethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 106342102
5-(3-hydroxyprop-1-ynyl)-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-3-carboxamide
CID 106432441
5-(3-hydroxyprop-1-ynyl)-N-(3-sulfamoylpropyl)thiophene-3-carboxamide
CID 79696498
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 106376136

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-carboxamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-carboxamide (CID 103010436) is 5-(3-hydroxyprop-1-ynyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-carboxamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-carboxamide is Cn1nccc1CCNC(=O)c1csc(C#CCO)c1.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-carboxamide?
The InChIKey is QDDZEJBIJLHVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-17-12(5-7-16-17)4-6-15-14(19)11-9-13(20-10-11)3-2-8-18/h5,7,9-10,18H,4,6,8H2,1H3,(H,15,19).
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-carboxamide?
5-(3-hydroxyprop-1-ynyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-ynyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 103010436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).