5-(3-aminoprop-1-ynyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methylthiophene-2-carboxamide

C15H18N4OS — CID 107464484

IUPAC5-(3-aminoprop-1-ynyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methylthiophene-2-carboxamide
SMILESCCc1nn(C)cc1NC(=O)c1cc(C)c(C#CCN)s1
InChIInChI=1S/C15H18N4OS/c1-4-11-12(9-19(3)18-11)17-15(20)14-8-10(2)13(21-14)6-5-7-16/h8-9H,4,7,16H2,1-3H3,(H,17,20)
InChIKeyNYCNOYODKYCDLO-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.91
Rot. Bonds3

About 5-(3-aminoprop-1-ynyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methylthiophene-2-carboxamide

5-(3-aminoprop-1-ynyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methylthiophene-2-carboxamide (PubChem CID 107464484) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methylthiophene-2-carboxamide
PubChem CID107464484
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methylthiophene-2-carboxamide
SMILESCCc1nn(C)cc1NC(=O)c1cc(C)c(C#CCN)s1
InChIInChI=1S/C15H18N4OS/c1-4-11-12(9-19(3)18-11)17-15(20)14-8-10(2)13(21-14)6-5-7-16/h8-9H,4,7,16H2,1-3H3,(H,17,20)
InChIKeyNYCNOYODKYCDLO-UHFFFAOYSA-N
XLogP1.91
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.91
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-ethylphenyl)-4-methylthiophene-2-carboxamide
CID 79977855
5-(3-aminoprop-1-ynyl)-4-methyl-N-pyrimidin-5-ylthiophene-2-carboxamide
CID 107589658
5-(3-aminoprop-1-ynyl)-4-methyl-N-(2-methylsulfanylphenyl)thiophene-2-carboxamide
CID 107642846
5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 79989819
5-(3-aminoprop-1-ynyl)-4-methyl-N-(2-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 79990676
5-(3-aminoprop-1-ynyl)-N-(4-chloro-2-methylphenyl)-4-methylthiophene-2-carboxamide
CID 79977293
5-(3-aminoprop-1-ynyl)-N-(3-chloro-2-methylphenyl)-4-methylthiophene-2-carboxamide
CID 79976616
5-(3-aminoprop-1-ynyl)-N-(3,4-dichlorophenyl)-4-methylthiophene-2-carboxamide
CID 79976889
5-(3-aminoprop-1-ynyl)-N-(3-ethylpentan-3-yl)-4-methylthiophene-2-carboxamide
CID 79990424
5-(3-aminoprop-1-ynyl)-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]thiophene-2-carboxamide
CID 106106229
5-(3-aminoprop-1-ynyl)-4-methyl-N-pyrazin-2-ylthiophene-2-carboxamide
CID 79990310
5-(3-aminoprop-1-ynyl)-4-methyl-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide
CID 79990488

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methylthiophene-2-carboxamide (CID 107464484) is 5-(3-aminoprop-1-ynyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methylthiophene-2-carboxamide is CCc1nn(C)cc1NC(=O)c1cc(C)c(C#CCN)s1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methylthiophene-2-carboxamide?
The InChIKey is NYCNOYODKYCDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-4-11-12(9-19(3)18-11)17-15(20)14-8-10(2)13(21-14)6-5-7-16/h8-9H,4,7,16H2,1-3H3,(H,17,20).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methylthiophene-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methylthiophene-2-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 1.91, 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-(3-ethyl-1-methylpyrazol-4-yl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 107464484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).