5-(3-aminoprop-1-ynyl)-4-methyl-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide

C14H16N4OS — CID 79990488

IUPAC5-(3-aminoprop-1-ynyl)-4-methyl-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCCn2cccn2)sc1C#CCN
InChIInChI=1S/C14H16N4OS/c1-11-10-13(20-12(11)4-2-5-15)14(19)16-7-9-18-8-3-6-17-18/h3,6,8,10H,5,7,9,15H2,1H3,(H,16,19)
InChIKeyRSBXCRKKDVOMDA-UHFFFAOYSA-N
MW288.38 g/mol
LogP0.99
Rot. Bonds4

About 5-(3-aminoprop-1-ynyl)-4-methyl-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide

5-(3-aminoprop-1-ynyl)-4-methyl-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide (PubChem CID 79990488) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-4-methyl-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-4-methyl-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide
PubChem CID79990488
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name5-(3-aminoprop-1-ynyl)-4-methyl-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCCn2cccn2)sc1C#CCN
InChIInChI=1S/C14H16N4OS/c1-11-10-13(20-12(11)4-2-5-15)14(19)16-7-9-18-8-3-6-17-18/h3,6,8,10H,5,7,9,15H2,1H3,(H,16,19)
InChIKeyRSBXCRKKDVOMDA-UHFFFAOYSA-N
XLogP0.99
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 50.99
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-(3-aminoprop-1-ynyl)-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]thiophene-2-carboxamide
CID 106106229
ethyl 3-[[5-(3-aminoprop-1-ynyl)-4-methylthiophene-2-carbonyl]amino]propanoate
CID 79990765
5-(3-aminoprop-1-ynyl)-4-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide
CID 79990588
5-(3-aminoprop-1-ynyl)-N-(4-methoxybutyl)-4-methylthiophene-2-carboxamide
CID 79990221
5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-methylpentyl)thiophene-2-carboxamide
CID 79990142
5-(3-aminoprop-1-ynyl)-N-(2-cyclopentylethyl)-4-methylthiophene-2-carboxamide
CID 79990485
5-(3-aminoprop-1-ynyl)-N-(2,2-dicyclopropylethyl)-4-methylthiophene-2-carboxamide
CID 79998554
5-(3-aminoprop-1-ynyl)-N-(3-ethylpentan-3-yl)-4-methylthiophene-2-carboxamide
CID 79990424
5-(3-aminoprop-1-ynyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylthiophene-2-carboxamide
CID 79998550
5-(3-hydroxyprop-1-ynyl)-4-methyl-N-propylthiophene-2-carboxamide
CID 79982122
5-(3-aminoprop-1-ynyl)-4-methyl-N-pyrazin-2-ylthiophene-2-carboxamide
CID 79990310
2-(3-aminoprop-1-ynyl)-4-fluoro-N-(2-pyrazol-1-ylethyl)benzamide
CID 61461537

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-4-methyl-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-4-methyl-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide (CID 79990488) is 5-(3-aminoprop-1-ynyl)-4-methyl-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-4-methyl-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-4-methyl-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide is Cc1cc(C(=O)NCCn2cccn2)sc1C#CCN.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-4-methyl-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide?
The InChIKey is RSBXCRKKDVOMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-11-10-13(20-12(11)4-2-5-15)14(19)16-7-9-18-8-3-6-17-18/h3,6,8,10H,5,7,9,15H2,1H3,(H,16,19).
What are the key properties of 5-(3-aminoprop-1-ynyl)-4-methyl-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide?
5-(3-aminoprop-1-ynyl)-4-methyl-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide has a molecular weight of 288.38 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-4-methyl-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 79990488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).