N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-phenylacetamide

C16H15N3OS — CID 42687267

IUPACN-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-phenylacetamide
SMILESCc1[nH]nc(-c2ccsc2)c1NC(=O)Cc1ccccc1
InChIInChI=1S/C16H15N3OS/c1-11-15(16(19-18-11)13-7-8-21-10-13)17-14(20)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyACXSQTUFKFHORS-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.63
Rot. Bonds4

About N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-phenylacetamide

N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-phenylacetamide (PubChem CID 42687267) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-phenylacetamide
PubChem CID42687267
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC NameN-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-phenylacetamide
SMILESCc1[nH]nc(-c2ccsc2)c1NC(=O)Cc1ccccc1
InChIInChI=1S/C16H15N3OS/c1-11-15(16(19-18-11)13-7-8-21-10-13)17-14(20)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyACXSQTUFKFHORS-UHFFFAOYSA-N
XLogP3.63
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-thiophen-2-ylacetamide
CID 5309163
N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-thiophenecarboxamide
CID 1225355
N-(2-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl)-2-(naphthalen-1-yl)acetamide
CID 46869223
N-[(4-fluorophenyl)methyl]-5-(4-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 49790776
6-benzyl-3-thiophen-3-yl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
CID 134810572
N-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]thiophene-2-carboxamide
CID 46168276
2-(4-methylpiperazin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide
CID 156574643
N-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)cyclopentanecarboxamide
CID 42687220
N-[2-Methyl-5-(1H-pyrazol-5-YL)thiophen-3-YL]-3-phenylpropanamide
CID 53163541
1-{3-Phenyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-5-YL}-2-(thiophen-2-YL)ethan-1-one
CID 53185459
N-[5-Cyclopropyl-3-(2,4-dimethylphenyl)-1H-pyrazol-4-YL]-2-(thiophen-2-YL)acetamide
CID 42686174
2-Cyclopentyl-N-[5-ethyl-3-(thiophen-2-YL)-1H-pyrazol-4-YL]acetamide
CID 42687227

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-phenylacetamide?
The IUPAC name of N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-phenylacetamide (CID 42687267) is N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-phenylacetamide.
What is the SMILES notation for N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-phenylacetamide?
The canonical SMILES for N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-phenylacetamide is Cc1[nH]nc(-c2ccsc2)c1NC(=O)Cc1ccccc1.
What is the InChIKey of N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-phenylacetamide?
The InChIKey is ACXSQTUFKFHORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-11-15(16(19-18-11)13-7-8-21-10-13)17-14(20)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-phenylacetamide?
N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-phenylacetamide has a molecular weight of 297.38 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-phenylacetamide is sourced from PubChem (CID 42687267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).