1-[(5-acetylthiophen-3-yl)methyl]pyrazole-3-carboxamide

C11H11N3O2S — CID 70864567

IUPAC1-[(5-acetylthiophen-3-yl)methyl]pyrazole-3-carboxamide
SMILESCC(=O)c1cc(Cn2ccc(C(N)=O)n2)cs1
InChIInChI=1S/C11H11N3O2S/c1-7(15)10-4-8(6-17-10)5-14-3-2-9(13-14)11(12)16/h2-4,6H,5H2,1H3,(H2,12,16)
InChIKeyZYSBNNRGOIKNLF-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.29
Rot. Bonds4

About 1-[(5-acetylthiophen-3-yl)methyl]pyrazole-3-carboxamide

1-[(5-acetylthiophen-3-yl)methyl]pyrazole-3-carboxamide (PubChem CID 70864567) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 1-[(5-acetylthiophen-3-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(5-acetylthiophen-3-yl)methyl]pyrazole-3-carboxamide
PubChem CID70864567
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name1-[(5-acetylthiophen-3-yl)methyl]pyrazole-3-carboxamide
SMILESCC(=O)c1cc(Cn2ccc(C(N)=O)n2)cs1
InChIInChI=1S/C11H11N3O2S/c1-7(15)10-4-8(6-17-10)5-14-3-2-9(13-14)11(12)16/h2-4,6H,5H2,1H3,(H2,12,16)
InChIKeyZYSBNNRGOIKNLF-UHFFFAOYSA-N
XLogP1.29
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2529482
1,5-dimethyl-N-(2-thienylmethyl)-1H-pyrazole-3-carboxamide
CID 2738497
phenyl[3-(2-thienyl)-1H-pyrazol-1-yl]methanone
CID 2814851
3-(1,3-dimethyl-1H-pyrazol-4-yl)-1-(2-thienyl)-2-propen-1-one
CID 6162770
5-methyl-N-(3-{N-[(1-methyl-1H-pyrazol-3-yl)carbonyl]ethanehydrazonoyl}phenyl)-2-thiophenecarboxamide
CID 7308643
5-(1-benzyl-1H-pyrazol-3-yl)-N-hydroxythiophene-2-carboxamide
CID 10470023
N-hydroxy-5-(1-phenethyl-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 11723098
N-hydroxy-5-(1-(3-phenylpropyl)-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 44418166
1-methyl-N-((thiophen-2-yl)methyl)-1H-pyrazole-5-carboxamide
CID 1236012
(E)-3-(1,5-dimethylpyrazol-4-yl)-1-(5-ethylthiophen-2-yl)prop-2-en-1-one
CID 6261005
5-(2,5-Dimethylthiophen-3-yl)-1-methylpyrazole-3-carboxamide
CID 118715046
N'-[(3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]-2-thiophenecarbohydrazide
CID 9583897

Frequently Asked Questions

What is the IUPAC name of 1-[(5-acetylthiophen-3-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[(5-acetylthiophen-3-yl)methyl]pyrazole-3-carboxamide (CID 70864567) is 1-[(5-acetylthiophen-3-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(5-acetylthiophen-3-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[(5-acetylthiophen-3-yl)methyl]pyrazole-3-carboxamide is CC(=O)c1cc(Cn2ccc(C(N)=O)n2)cs1.
What is the InChIKey of 1-[(5-acetylthiophen-3-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is ZYSBNNRGOIKNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-7(15)10-4-8(6-17-10)5-14-3-2-9(13-14)11(12)16/h2-4,6H,5H2,1H3,(H2,12,16).
What are the key properties of 1-[(5-acetylthiophen-3-yl)methyl]pyrazole-3-carboxamide?
1-[(5-acetylthiophen-3-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 249.30 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-acetylthiophen-3-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 70864567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).