2-(5-chlorothiophen-2-yl)-N-methyl-N-(2-methylpyrazol-3-yl)propanamide

C12H14ClN3OS — CID 71861310

IUPAC2-(5-chlorothiophen-2-yl)-N-methyl-N-(2-methylpyrazol-3-yl)propanamide
SMILESCC(C(=O)N(C)c1ccnn1C)c1ccc(Cl)s1
InChIInChI=1S/C12H14ClN3OS/c1-8(9-4-5-10(13)18-9)12(17)15(2)11-6-7-14-16(11)3/h4-8H,1-3H3
InChIKeyTVSPURNLALUUJJ-UHFFFAOYSA-N
MW283.78 g/mol
LogP2.90
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-N-methyl-N-(2-methylpyrazol-3-yl)propanamide

2-(5-chlorothiophen-2-yl)-N-methyl-N-(2-methylpyrazol-3-yl)propanamide (PubChem CID 71861310) has the molecular formula C12H14ClN3OS and a molecular weight of 283.78 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-methyl-N-(2-methylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-methyl-N-(2-methylpyrazol-3-yl)propanamide
PubChem CID71861310
Molecular FormulaC12H14ClN3OS
Molecular Weight283.78 g/mol
Exact Mass283.05
IUPAC Name2-(5-chlorothiophen-2-yl)-N-methyl-N-(2-methylpyrazol-3-yl)propanamide
SMILESCC(C(=O)N(C)c1ccnn1C)c1ccc(Cl)s1
InChIInChI=1S/C12H14ClN3OS/c1-8(9-4-5-10(13)18-9)12(17)15(2)11-6-7-14-16(11)3/h4-8H,1-3H3
InChIKeyTVSPURNLALUUJJ-UHFFFAOYSA-N
XLogP2.90
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-methyl-N-(2-methylpyrazol-3-yl)propanamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-methyl-N-(2-methylpyrazol-3-yl)propanamide (CID 71861310) is 2-(5-chlorothiophen-2-yl)-N-methyl-N-(2-methylpyrazol-3-yl)propanamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-methyl-N-(2-methylpyrazol-3-yl)propanamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-methyl-N-(2-methylpyrazol-3-yl)propanamide is CC(C(=O)N(C)c1ccnn1C)c1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-methyl-N-(2-methylpyrazol-3-yl)propanamide?
The InChIKey is TVSPURNLALUUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3OS/c1-8(9-4-5-10(13)18-9)12(17)15(2)11-6-7-14-16(11)3/h4-8H,1-3H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-methyl-N-(2-methylpyrazol-3-yl)propanamide?
2-(5-chlorothiophen-2-yl)-N-methyl-N-(2-methylpyrazol-3-yl)propanamide has a molecular weight of 283.78 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-methyl-N-(2-methylpyrazol-3-yl)propanamide is sourced from PubChem (CID 71861310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).