2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide

C12H15N3OS — CID 20950847

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NCc1cccs1
InChIInChI=1S/C12H15N3OS/c1-8-11(9(2)15-14-8)6-12(16)13-7-10-4-3-5-17-10/h3-5H,6-7H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyBPNXHRRFLVGPPZ-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.95
Rot. Bonds4

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 20950847) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID20950847
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NCc1cccs1
InChIInChI=1S/C12H15N3OS/c1-8-11(9(2)15-14-8)6-12(16)13-7-10-4-3-5-17-10/h3-5H,6-7H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyBPNXHRRFLVGPPZ-UHFFFAOYSA-N
XLogP1.95
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N'-[(3-methyl-2-thienyl)methylene]propanohydrazide
CID 5395168
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 20950864
6-benzyl-3-thiophen-3-yl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
CID 134810572
2-(3,5-Dimethyl-1H-pyrazol-4-YL)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}acetamide
CID 20950857
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide
CID 31646009
N-butyl-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 44405938
5,5-dioxo-N-(thiophen-2-ylmethyl)-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole-3-carboxamide
CID 52103959
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide
CID 60767575
N,N-dimethyl-5-[(3-methyl-2-thienyl)methyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 91904627
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 4151087
N-{[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}-2-(2-thienyl)acetamide
CID 53148484
1-{3-Phenyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-5-YL}-2-(thiophen-2-YL)ethan-1-one
CID 53185459

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 20950847) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide is Cc1n[nH]c(C)c1CC(=O)NCc1cccs1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is BPNXHRRFLVGPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8-11(9(2)15-14-8)6-12(16)13-7-10-4-3-5-17-10/h3-5H,6-7H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 249.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 20950847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).