4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide

C16H16N4OS — CID 90588269

IUPAC4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide
SMILESCc1csc(C(=O)NCCn2ccc(-c3ccccn3)n2)c1
InChIInChI=1S/C16H16N4OS/c1-12-10-15(22-11-12)16(21)18-7-9-20-8-5-14(19-20)13-4-2-3-6-17-13/h2-6,8,10-11H,7,9H2,1H3,(H,18,21)
InChIKeyDGZZYZYYYIMATB-UHFFFAOYSA-N
MW312.40 g/mol
LogP2.75
Rot. Bonds5

About 4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide

4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide (PubChem CID 90588269) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide
PubChem CID90588269
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide
SMILESCc1csc(C(=O)NCCn2ccc(-c3ccccn3)n2)c1
InChIInChI=1S/C16H16N4OS/c1-12-10-15(22-11-12)16(21)18-7-9-20-8-5-14(19-20)13-4-2-3-6-17-13/h2-6,8,10-11H,7,9H2,1H3,(H,18,21)
InChIKeyDGZZYZYYYIMATB-UHFFFAOYSA-N
XLogP2.75
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
CID 90588265
4-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-carboxamide
CID 90555587
5-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]-1,2-oxazole-4-carboxamide
CID 71807997
4-phenyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
CID 90588347
4-fluoro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
CID 90588267
2-chloro-6-fluoro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
CID 90588310
2-(3-methylphenoxy)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide
CID 90588299
4-methyl-3-nitro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
CID 90588318
3,3-dimethyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]butanamide
CID 90588258
4-phenoxy-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
CID 90588364
2-oxo-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]chromene-3-carboxamide
CID 71807939
N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide
CID 121019897

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide (CID 90588269) is 4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide is Cc1csc(C(=O)NCCn2ccc(-c3ccccn3)n2)c1.
What is the InChIKey of 4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is DGZZYZYYYIMATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-12-10-15(22-11-12)16(21)18-7-9-20-8-5-14(19-20)13-4-2-3-6-17-13/h2-6,8,10-11H,7,9H2,1H3,(H,18,21).
What are the key properties of 4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide?
4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 312.40 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 90588269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).