5-(3-aminoprop-1-ynyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-3-carboxamide

C13H14N4OS — CID 79684581

IUPAC5-(3-aminoprop-1-ynyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-3-carboxamide
SMILESCc1n[nH]c(C)c1NC(=O)c1csc(C#CCN)c1
InChIInChI=1S/C13H14N4OS/c1-8-12(9(2)17-16-8)15-13(18)10-6-11(19-7-10)4-3-5-14/h6-7H,5,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyHHPIMNGMJPGVQO-UHFFFAOYSA-N
MW274.35 g/mol
LogP1.65
Rot. Bonds2

About 5-(3-aminoprop-1-ynyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-3-carboxamide

5-(3-aminoprop-1-ynyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-3-carboxamide (PubChem CID 79684581) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-3-carboxamide
PubChem CID79684581
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-3-carboxamide
SMILESCc1n[nH]c(C)c1NC(=O)c1csc(C#CCN)c1
InChIInChI=1S/C13H14N4OS/c1-8-12(9(2)17-16-8)15-13(18)10-6-11(19-7-10)4-3-5-14/h6-7H,5,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyHHPIMNGMJPGVQO-UHFFFAOYSA-N
XLogP1.65
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-3-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-3-carboxamide (CID 79684581) is 5-(3-aminoprop-1-ynyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-3-carboxamide is Cc1n[nH]c(C)c1NC(=O)c1csc(C#CCN)c1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-3-carboxamide?
The InChIKey is HHPIMNGMJPGVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-8-12(9(2)17-16-8)15-13(18)10-6-11(19-7-10)4-3-5-14/h6-7H,5,14H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-3-carboxamide?
5-(3-aminoprop-1-ynyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-3-carboxamide has a molecular weight of 274.35 g/mol, XLogP of 1.65, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-3-carboxamide is sourced from PubChem (CID 79684581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).