5-(3-aminoprop-1-ynyl)-N-(2-propan-2-ylpyrazol-3-yl)thiophene-3-carboxamide

C14H16N4OS — CID 79696660

IUPAC5-(3-aminoprop-1-ynyl)-N-(2-propan-2-ylpyrazol-3-yl)thiophene-3-carboxamide
SMILESCC(C)n1nccc1NC(=O)c1csc(C#CCN)c1
InChIInChI=1S/C14H16N4OS/c1-10(2)18-13(5-7-16-18)17-14(19)11-8-12(20-9-11)4-3-6-15/h5,7-10H,6,15H2,1-2H3,(H,17,19)
InChIKeyPHGYKBYPJWDCID-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.09
Rot. Bonds3

About 5-(3-aminoprop-1-ynyl)-N-(2-propan-2-ylpyrazol-3-yl)thiophene-3-carboxamide

5-(3-aminoprop-1-ynyl)-N-(2-propan-2-ylpyrazol-3-yl)thiophene-3-carboxamide (PubChem CID 79696660) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(2-propan-2-ylpyrazol-3-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(2-propan-2-ylpyrazol-3-yl)thiophene-3-carboxamide
PubChem CID79696660
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(2-propan-2-ylpyrazol-3-yl)thiophene-3-carboxamide
SMILESCC(C)n1nccc1NC(=O)c1csc(C#CCN)c1
InChIInChI=1S/C14H16N4OS/c1-10(2)18-13(5-7-16-18)17-14(19)11-8-12(20-9-11)4-3-6-15/h5,7-10H,6,15H2,1-2H3,(H,17,19)
InChIKeyPHGYKBYPJWDCID-UHFFFAOYSA-N
XLogP2.09
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.09
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)-N-(2-methylpropyl)thiophene-3-carboxamide
CID 79696864
5-(3-aminoprop-1-ynyl)-N-(2-methyl-3-pyridinyl)thiophene-3-carboxamide
CID 79684370
5-(3-aminoprop-1-ynyl)-N-(1-pyridin-4-ylethyl)thiophene-3-carboxamide
CID 79696254
5-(3-aminoprop-1-ynyl)-N-(3,4-dimethylphenyl)thiophene-3-carboxamide
CID 79695981
5-(3-aminoprop-1-ynyl)-N-(1-pyridin-2-ylethyl)thiophene-3-carboxamide
CID 79696529
3,4,5-trifluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 63188295
5-(3-aminoprop-1-ynyl)-N-[1-(furan-2-yl)ethyl]thiophene-3-carboxamide
CID 79696391
methyl 2-[[5-(3-aminoprop-1-ynyl)thiophene-3-carbonyl]amino]propanoate
CID 79684750
5-(3-aminoprop-1-ynyl)-N-(2-methoxyphenyl)thiophene-3-carboxamide
CID 79696317
N-(2-propan-2-ylpyrazol-3-yl)naphthalene-2-carboxamide
CID 30183164
5-(3-aminoprop-1-ynyl)-N-(3,4-difluorophenyl)thiophene-3-carboxamide
CID 79696592
5-(3-aminoprop-1-ynyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-3-carboxamide
CID 79684581

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(2-propan-2-ylpyrazol-3-yl)thiophene-3-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(2-propan-2-ylpyrazol-3-yl)thiophene-3-carboxamide (CID 79696660) is 5-(3-aminoprop-1-ynyl)-N-(2-propan-2-ylpyrazol-3-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(2-propan-2-ylpyrazol-3-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(2-propan-2-ylpyrazol-3-yl)thiophene-3-carboxamide is CC(C)n1nccc1NC(=O)c1csc(C#CCN)c1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(2-propan-2-ylpyrazol-3-yl)thiophene-3-carboxamide?
The InChIKey is PHGYKBYPJWDCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-10(2)18-13(5-7-16-18)17-14(19)11-8-12(20-9-11)4-3-6-15/h5,7-10H,6,15H2,1-2H3,(H,17,19).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(2-propan-2-ylpyrazol-3-yl)thiophene-3-carboxamide?
5-(3-aminoprop-1-ynyl)-N-(2-propan-2-ylpyrazol-3-yl)thiophene-3-carboxamide has a molecular weight of 288.38 g/mol, XLogP of 2.09, 3 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)-N-(2-propan-2-ylpyrazol-3-yl)thiophene-3-carboxamide is sourced from PubChem (CID 79696660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).