N-[(1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylacetamide

C11H13N3OS — CID 35524940

IUPACN-[(1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylacetamide
SMILESCn1cc(CNC(=O)Cc2cccs2)cn1
InChIInChI=1S/C11H13N3OS/c1-14-8-9(7-13-14)6-12-11(15)5-10-3-2-4-16-10/h2-4,7-8H,5-6H2,1H3,(H,12,15)
InChIKeySCCGCOLBYOLUBO-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.34
Rot. Bonds4

About N-[(1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylacetamide

N-[(1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylacetamide (PubChem CID 35524940) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylacetamide
PubChem CID35524940
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylacetamide
SMILESCn1cc(CNC(=O)Cc2cccs2)cn1
InChIInChI=1S/C11H13N3OS/c1-14-8-9(7-13-14)6-12-11(15)5-10-3-2-4-16-10/h2-4,7-8H,5-6H2,1H3,(H,12,15)
InChIKeySCCGCOLBYOLUBO-UHFFFAOYSA-N
XLogP1.34
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
CID 126966027
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
N-(furan-3-ylmethyl)-2-thiophen-2-ylacetamide
CID 47350839
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-thiophen-2-ylacetamide
CID 47026748
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
2-(4-carbamothioylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 63611673
N-[2-(1-methylindol-3-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110731525
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 82547707
N-[(1-methylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 35523459
N-[(3,5-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide
CID 2801025
1-[3-(1-methylpyrazol-4-yl)propanoylamino]-3-(2-thiophen-2-ylethyl)thiourea
CID 122132063
N-[[4-(2-aminoethyl)phenyl]methyl]-2-thiophen-2-ylacetamide
CID 62502320

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylacetamide (CID 35524940) is N-[(1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylacetamide is Cn1cc(CNC(=O)Cc2cccs2)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylacetamide?
The InChIKey is SCCGCOLBYOLUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-14-8-9(7-13-14)6-12-11(15)5-10-3-2-4-16-10/h2-4,7-8H,5-6H2,1H3,(H,12,15).
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylacetamide?
N-[(1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylacetamide has a molecular weight of 235.31 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 35524940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).