N-(1-ethylpyrazol-4-yl)-3-thiophen-3-ylpropanamide

C12H15N3OS — CID 35275995

IUPACN-(1-ethylpyrazol-4-yl)-3-thiophen-3-ylpropanamide
SMILESCCn1cc(NC(=O)CCc2ccsc2)cn1
InChIInChI=1S/C12H15N3OS/c1-2-15-8-11(7-13-15)14-12(16)4-3-10-5-6-17-9-10/h5-9H,2-4H2,1H3,(H,14,16)
InChIKeyHEJCLALJLRVSER-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.54
Rot. Bonds5

About N-(1-ethylpyrazol-4-yl)-3-thiophen-3-ylpropanamide

N-(1-ethylpyrazol-4-yl)-3-thiophen-3-ylpropanamide (PubChem CID 35275995) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-3-thiophen-3-ylpropanamide
PubChem CID35275995
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN-(1-ethylpyrazol-4-yl)-3-thiophen-3-ylpropanamide
SMILESCCn1cc(NC(=O)CCc2ccsc2)cn1
InChIInChI=1S/C12H15N3OS/c1-2-15-8-11(7-13-15)14-12(16)4-3-10-5-6-17-9-10/h5-9H,2-4H2,1H3,(H,14,16)
InChIKeyHEJCLALJLRVSER-UHFFFAOYSA-N
XLogP2.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methyl-1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 19615665
N-(1-pyrazol-1-ylpropan-2-yl)-2-thiophen-2-ylacetamide
CID 45818981
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 47057480
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 49089067
1-[2-(Dimethylamino)-2-thiophen-3-ylethyl]-3-(1-ethylpyrazol-4-yl)urea
CID 53502856
1-[2-[(4-Methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 53624600
1-[2-(Pyrazol-1-ylmethyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 56778852
N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)-2-(thiophen-3-yl)acetamide
CID 71810256
N-(1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-pyrazol-4-yl)-2-(thiophen-2-yl)acetamide
CID 76149519
N-{2-[3-(thiophen-3-yl)-1H-pyrazol-1-yl]ethyl}cyclopropanecarboxamide
CID 86266342
4-ethyl-5-methyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]thiophene-2-carboxamide
CID 38606716
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-methylthiophene-2-carboxamide
CID 47057481

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-3-thiophen-3-ylpropanamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-3-thiophen-3-ylpropanamide (CID 35275995) is N-(1-ethylpyrazol-4-yl)-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-3-thiophen-3-ylpropanamide is CCn1cc(NC(=O)CCc2ccsc2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-3-thiophen-3-ylpropanamide?
The InChIKey is HEJCLALJLRVSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-2-15-8-11(7-13-15)14-12(16)4-3-10-5-6-17-9-10/h5-9H,2-4H2,1H3,(H,14,16).
What are the key properties of N-(1-ethylpyrazol-4-yl)-3-thiophen-3-ylpropanamide?
N-(1-ethylpyrazol-4-yl)-3-thiophen-3-ylpropanamide has a molecular weight of 249.34 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 35275995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).