5-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide

C11H9N3O2S — CID 61075453

IUPAC5-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide
SMILESO=C(Nc1cn[nH]c1)c1ccc(C#CCO)s1
InChIInChI=1S/C11H9N3O2S/c15-5-1-2-9-3-4-10(17-9)11(16)14-8-6-12-13-7-8/h3-4,6-7,15H,5H2,(H,12,13)(H,14,16)
InChIKeySRMXXHNLIRPDQG-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.07
Rot. Bonds2

About 5-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide

5-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide (PubChem CID 61075453) has the molecular formula C11H9N3O2S and a molecular weight of 247.28 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide
PubChem CID61075453
Molecular FormulaC11H9N3O2S
Molecular Weight247.28 g/mol
Exact Mass247.04
IUPAC Name5-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide
SMILESO=C(Nc1cn[nH]c1)c1ccc(C#CCO)s1
InChIInChI=1S/C11H9N3O2S/c15-5-1-2-9-3-4-10(17-9)11(16)14-8-6-12-13-7-8/h3-4,6-7,15H,5H2,(H,12,13)(H,14,16)
InChIKeySRMXXHNLIRPDQG-UHFFFAOYSA-N
XLogP1.07
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3-hydroxyprop-1-ynyl)-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 61075106
5-(3-hydroxyprop-1-ynyl)-N-(thiadiazol-5-yl)thiophene-2-carboxamide
CID 114913751
5-(3-hydroxyprop-1-ynyl)-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 61076351
N-(1,3-benzothiazol-2-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 61075092
N-(2,2-dimethylpropyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 61167472
N-(5-cyano-2-methylphenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 62105815
N-(3,4-dichlorophenyl)-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 61077065
N-[2-(dimethylamino)phenyl]-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 106760628
N-(4-chloro-2-methylphenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 61076895
5-(5-methylfuran-2-yl)-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 167873778
5-(3-hydroxyprop-1-ynyl)-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-carboxamide
CID 62842091
5-(4-hydroxybut-1-ynyl)-N-(1H-imidazol-2-yl)thiophene-2-carboxamide
CID 63564139

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide (CID 61075453) is 5-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide is O=C(Nc1cn[nH]c1)c1ccc(C#CCO)s1.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide?
The InChIKey is SRMXXHNLIRPDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2S/c15-5-1-2-9-3-4-10(17-9)11(16)14-8-6-12-13-7-8/h3-4,6-7,15H,5H2,(H,12,13)(H,14,16).
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide?
5-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide has a molecular weight of 247.28 g/mol, XLogP of 1.07, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 61075453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).