N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-thiophen-3-ylacetamide

C14H19N3OS — CID 91832275

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-thiophen-3-ylacetamide
SMILESCc1cc(C)n(CCN(C)C(=O)Cc2ccsc2)n1
InChIInChI=1S/C14H19N3OS/c1-11-8-12(2)17(15-11)6-5-16(3)14(18)9-13-4-7-19-10-13/h4,7-8,10H,5-6,9H2,1-3H3
InChIKeyHSNDMCGVJDBDEH-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.26
Rot. Bonds5

About N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-thiophen-3-ylacetamide

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-thiophen-3-ylacetamide (PubChem CID 91832275) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-thiophen-3-ylacetamide
PubChem CID91832275
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-thiophen-3-ylacetamide
SMILESCc1cc(C)n(CCN(C)C(=O)Cc2ccsc2)n1
InChIInChI=1S/C14H19N3OS/c1-11-8-12(2)17(15-11)6-5-16(3)14(18)9-13-4-7-19-10-13/h4,7-8,10H,5-6,9H2,1-3H3
InChIKeyHSNDMCGVJDBDEH-UHFFFAOYSA-N
XLogP2.26
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-methyl-1-(thiophen-3-ylmethyl)urea
CID 94125056
1-(2-ethyl-5-methylpyrazol-3-yl)-2-thiophen-3-ylethanone
CID 105091117
N-(5-chloropentyl)-N-methyl-2-thiophen-3-ylacetamide
CID 107205870
2-(3,5-dimethylpyrazol-1-yl)-N-[(4-hydroxyphenyl)methyl]-N-methylacetamide
CID 60966990
2-(2,4-dichlorophenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methylacetamide
CID 72902089
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 31105412
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-oxoquinolin-1-yl)acetamide
CID 72884552
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-thiophen-3-ylpropanamide
CID 94028959
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-4-pyrimidin-5-ylbenzamide
CID 119060682
4-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]butanamide
CID 46955487
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-thiophen-3-ylacetamide
CID 79652303
N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-thiophen-3-ylacetamide
CID 70787614

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-thiophen-3-ylacetamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-thiophen-3-ylacetamide (CID 91832275) is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-thiophen-3-ylacetamide is Cc1cc(C)n(CCN(C)C(=O)Cc2ccsc2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-thiophen-3-ylacetamide?
The InChIKey is HSNDMCGVJDBDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-11-8-12(2)17(15-11)6-5-16(3)14(18)9-13-4-7-19-10-13/h4,7-8,10H,5-6,9H2,1-3H3.
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-thiophen-3-ylacetamide?
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-thiophen-3-ylacetamide has a molecular weight of 277.39 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-thiophen-3-ylacetamide is sourced from PubChem (CID 91832275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).