4-methyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]thiophene-2-carboxamide

C15H15N3OS2 — CID 71797381

IUPAC4-methyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]thiophene-2-carboxamide
SMILESCc1csc(C(=O)NCc2cc(-c3cccs3)n(C)n2)c1
InChIInChI=1S/C15H15N3OS2/c1-10-6-14(21-9-10)15(19)16-8-11-7-12(18(2)17-11)13-4-3-5-20-13/h3-7,9H,8H2,1-2H3,(H,16,19)
InChIKeyXNPWLFKQRCFURP-UHFFFAOYSA-N
MW317.44 g/mol
LogP3.45
Rot. Bonds4

About 4-methyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]thiophene-2-carboxamide

4-methyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]thiophene-2-carboxamide (PubChem CID 71797381) has the molecular formula C15H15N3OS2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 4-methyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]thiophene-2-carboxamide
PubChem CID71797381
Molecular FormulaC15H15N3OS2
Molecular Weight317.44 g/mol
Exact Mass317.07
IUPAC Name4-methyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]thiophene-2-carboxamide
SMILESCc1csc(C(=O)NCc2cc(-c3cccs3)n(C)n2)c1
InChIInChI=1S/C15H15N3OS2/c1-10-6-14(21-9-10)15(19)16-8-11-7-12(18(2)17-11)13-4-3-5-20-13/h3-7,9H,8H2,1-2H3,(H,16,19)
InChIKeyXNPWLFKQRCFURP-UHFFFAOYSA-N
XLogP3.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-carboxamide
CID 90555587
4-methyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]thiadiazole-5-carboxamide
CID 71797383
3-(dimethylamino)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]benzamide
CID 71797395
N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-9H-xanthene-9-carboxamide
CID 71797426
N-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]-4-methylthiophene-2-carboxamide
CID 90541798
N-butyl-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide
CID 110335994
4-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]thiophene-2-carboxamide
CID 121020097
N-cyclopropyl-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide
CID 110335992
N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide
CID 71797450
N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-4-methylthiophene-2-carboxamide
CID 95983247
4-methyl-N-[2-(triazol-2-yl)ethyl]thiophene-2-carboxamide
CID 121177066
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]pyridine-3-carboxamide
CID 90554952

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 4-methyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]thiophene-2-carboxamide (CID 71797381) is 4-methyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 4-methyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]thiophene-2-carboxamide is Cc1csc(C(=O)NCc2cc(-c3cccs3)n(C)n2)c1.
What is the InChIKey of 4-methyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]thiophene-2-carboxamide?
The InChIKey is XNPWLFKQRCFURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS2/c1-10-6-14(21-9-10)15(19)16-8-11-7-12(18(2)17-11)13-4-3-5-20-13/h3-7,9H,8H2,1-2H3,(H,16,19).
What are the key properties of 4-methyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]thiophene-2-carboxamide?
4-methyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]thiophene-2-carboxamide has a molecular weight of 317.44 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 71797381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).