N-(1-methyl-3-phenylpyrazol-5-yl)-2-thiophen-2-ylacetamide

C16H15N3OS — CID 155909949

IUPACN-(1-methyl-3-phenylpyrazol-5-yl)-2-thiophen-2-ylacetamide
SMILESCn1nc(-c2ccccc2)cc1NC(=O)Cc1cccs1
InChIInChI=1S/C16H15N3OS/c1-19-15(17-16(20)10-13-8-5-9-21-13)11-14(18-19)12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,17,20)
InChIKeyKJUZVDMIGBGNDS-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.33
Rot. Bonds4

About N-(1-methyl-3-phenylpyrazol-5-yl)-2-thiophen-2-ylacetamide

N-(1-methyl-3-phenylpyrazol-5-yl)-2-thiophen-2-ylacetamide (PubChem CID 155909949) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(1-methyl-3-phenylpyrazol-5-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(1-methyl-3-phenylpyrazol-5-yl)-2-thiophen-2-ylacetamide
PubChem CID155909949
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC NameN-(1-methyl-3-phenylpyrazol-5-yl)-2-thiophen-2-ylacetamide
SMILESCn1nc(-c2ccccc2)cc1NC(=O)Cc1cccs1
InChIInChI=1S/C16H15N3OS/c1-19-15(17-16(20)10-13-8-5-9-21-13)11-14(18-19)12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,17,20)
InChIKeyKJUZVDMIGBGNDS-UHFFFAOYSA-N
XLogP3.33
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-thiophen-2-ylacetamide
CID 136605503
[2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-2-oxoethyl] 3-thiophen-2-ylpropanoate
CID 8529166
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 55334183
N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
CID 42741294
N-(1-methyl-3-phenylpyrazol-5-yl)-2-(triazol-1-yl)acetamide
CID 46982645
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 8002261
N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)butanamide
CID 134798763
methyl 4-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]benzoate
CID 30515195
N-[2-(4-phenylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 119102947
N-(2-acetamidophenyl)-2-thiophen-2-ylacetamide
CID 1363852
N-(1-methylimidazol-2-yl)-2-thiophen-2-ylacetamide
CID 110472554
[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-thiophen-2-ylacetate
CID 23791449

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-3-phenylpyrazol-5-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(1-methyl-3-phenylpyrazol-5-yl)-2-thiophen-2-ylacetamide (CID 155909949) is N-(1-methyl-3-phenylpyrazol-5-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(1-methyl-3-phenylpyrazol-5-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(1-methyl-3-phenylpyrazol-5-yl)-2-thiophen-2-ylacetamide is Cn1nc(-c2ccccc2)cc1NC(=O)Cc1cccs1.
What is the InChIKey of N-(1-methyl-3-phenylpyrazol-5-yl)-2-thiophen-2-ylacetamide?
The InChIKey is KJUZVDMIGBGNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-19-15(17-16(20)10-13-8-5-9-21-13)11-14(18-19)12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,17,20).
What are the key properties of N-(1-methyl-3-phenylpyrazol-5-yl)-2-thiophen-2-ylacetamide?
N-(1-methyl-3-phenylpyrazol-5-yl)-2-thiophen-2-ylacetamide has a molecular weight of 297.38 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-3-phenylpyrazol-5-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 155909949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).