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

C12H11N3O2S — CID 79696149

IUPAC5-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-ylmethyl)thiophene-3-carboxamide
SMILESO=C(NCc1cn[nH]c1)c1csc(C#CCO)c1
InChIInChI=1S/C12H11N3O2S/c16-3-1-2-11-4-10(8-18-11)12(17)13-5-9-6-14-15-7-9/h4,6-8,16H,3,5H2,(H,13,17)(H,14,15)
InChIKeyPTMJDHWTOQNENX-UHFFFAOYSA-N
MW261.31 g/mol
LogP0.75
Rot. Bonds3

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

5-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-ylmethyl)thiophene-3-carboxamide (PubChem CID 79696149) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-ylmethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-ylmethyl)thiophene-3-carboxamide
PubChem CID79696149
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC Name5-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-ylmethyl)thiophene-3-carboxamide
SMILESO=C(NCc1cn[nH]c1)c1csc(C#CCO)c1
InChIInChI=1S/C12H11N3O2S/c16-3-1-2-11-4-10(8-18-11)12(17)13-5-9-6-14-15-7-9/h4,6-8,16H,3,5H2,(H,13,17)(H,14,15)
InChIKeyPTMJDHWTOQNENX-UHFFFAOYSA-N
XLogP0.75
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-ylmethyl)thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 54982421
4-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 54982374
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 106376136
5-(3-hydroxyprop-1-ynyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 79693657
3,4,5-trifluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 63186396
5-(3-hydroxyprop-1-ynyl)-N-(2-pyridin-4-ylethyl)thiophene-3-carboxamide
CID 79696892
5-(3-hydroxyprop-1-ynyl)-N-pyrimidin-5-ylthiophene-3-carboxamide
CID 107589617
3,5-diamino-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61138669
5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylthiophene-3-carboxamide
CID 79694004
N-[2-(2-amino-2-oxoethoxy)ethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 106240619
5-(3-aminoprop-1-ynyl)-N-[(3-chlorophenyl)methyl]thiophene-3-carboxamide
CID 79683790
5-(3-hydroxyprop-1-ynyl)-N-(2-phenoxyethyl)thiophene-3-carboxamide
CID 79690422

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-ylmethyl)thiophene-3-carboxamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-ylmethyl)thiophene-3-carboxamide (CID 79696149) is 5-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-ylmethyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-ylmethyl)thiophene-3-carboxamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-ylmethyl)thiophene-3-carboxamide is O=C(NCc1cn[nH]c1)c1csc(C#CCO)c1.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-ylmethyl)thiophene-3-carboxamide?
The InChIKey is PTMJDHWTOQNENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c16-3-1-2-11-4-10(8-18-11)12(17)13-5-9-6-14-15-7-9/h4,6-8,16H,3,5H2,(H,13,17)(H,14,15).
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-ylmethyl)thiophene-3-carboxamide?
5-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-ylmethyl)thiophene-3-carboxamide has a molecular weight of 261.31 g/mol, XLogP of 0.75, 3 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-ylmethyl)thiophene-3-carboxamide is sourced from PubChem (CID 79696149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).