4-ethyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide

C13H17N3OS — CID 1245360

IUPAC4-ethyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide
SMILESCCc1c(C(=O)NCc2cnn(C)c2)csc1C
InChIInChI=1S/C13H17N3OS/c1-4-11-9(2)18-8-12(11)13(17)14-5-10-6-15-16(3)7-10/h6-8H,4-5H2,1-3H3,(H,14,17)
InChIKeyRKMVKCGGUAHNCB-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.28
Rot. Bonds4

About 4-ethyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide

4-ethyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide (PubChem CID 1245360) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 4-ethyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name4-ethyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide
PubChem CID1245360
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name4-ethyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide
SMILESCCc1c(C(=O)NCc2cnn(C)c2)csc1C
InChIInChI=1S/C13H17N3OS/c1-4-11-9(2)18-8-12(11)13(17)14-5-10-6-15-16(3)7-10/h6-8H,4-5H2,1-3H3,(H,14,17)
InChIKeyRKMVKCGGUAHNCB-UHFFFAOYSA-N
XLogP2.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide?
The IUPAC name of 4-ethyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide (CID 1245360) is 4-ethyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 4-ethyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide?
The canonical SMILES for 4-ethyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide is CCc1c(C(=O)NCc2cnn(C)c2)csc1C.
What is the InChIKey of 4-ethyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide?
The InChIKey is RKMVKCGGUAHNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-4-11-9(2)18-8-12(11)13(17)14-5-10-6-15-16(3)7-10/h6-8H,4-5H2,1-3H3,(H,14,17).
What are the key properties of 4-ethyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide?
4-ethyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide has a molecular weight of 263.37 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 1245360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).