1-ethyl-N-pyridin-3-yl-3-thiophen-3-ylpyrazole-5-carboxamide

C15H14N4OS — CID 42879297

IUPAC1-ethyl-N-pyridin-3-yl-3-thiophen-3-ylpyrazole-5-carboxamide
SMILESCCn1nc(-c2ccsc2)cc1C(=O)Nc1cccnc1
InChIInChI=1S/C15H14N4OS/c1-2-19-14(8-13(18-19)11-5-7-21-10-11)15(20)17-12-4-3-6-16-9-12/h3-10H,2H2,1H3,(H,17,20)
InChIKeyBGSKCWGRGKTQQB-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.28
Rot. Bonds4

About 1-ethyl-N-pyridin-3-yl-3-thiophen-3-ylpyrazole-5-carboxamide

1-ethyl-N-pyridin-3-yl-3-thiophen-3-ylpyrazole-5-carboxamide (PubChem CID 42879297) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 1-ethyl-N-pyridin-3-yl-3-thiophen-3-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-pyridin-3-yl-3-thiophen-3-ylpyrazole-5-carboxamide
PubChem CID42879297
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name1-ethyl-N-pyridin-3-yl-3-thiophen-3-ylpyrazole-5-carboxamide
SMILESCCn1nc(-c2ccsc2)cc1C(=O)Nc1cccnc1
InChIInChI=1S/C15H14N4OS/c1-2-19-14(8-13(18-19)11-5-7-21-10-11)15(20)17-12-4-3-6-16-9-12/h3-10H,2H2,1H3,(H,17,20)
InChIKeyBGSKCWGRGKTQQB-UHFFFAOYSA-N
XLogP3.28
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-(2-methoxyphenyl)-N-pyridin-3-ylpyrazole-5-carboxamide
CID 42879359
N-cyclopropyl-1-ethyl-3-thiophen-3-ylpyrazole-5-carboxamide
CID 42879294
N-(3-methylphenyl)-1-[4-[5-[(3-methylphenyl)carbamoyl]-3-pyridin-4-ylpyrazol-1-yl]butyl]-3-pyridin-4-ylpyrazole-5-carboxamide
CID 175497589
1-ethyl-3-pyridin-4-ylpyrazole-5-carboxylic acid
CID 82376222
1-(pyridin-3-ylmethyl)-N-(4-thiophen-3-ylphenyl)pyrrole-2-carboxamide
CID 166200837
1-(2-hydroxyethyl)-3-thiophen-3-ylpyrazole-5-carboxylic acid
CID 121211165
2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)acetic acid
CID 121211968
2-(6-oxo-3-phenylpyridazin-1-yl)-N-pyridin-3-ylacetamide
CID 44754046
1-ethyl-3-(2-fluoro-4-methoxyphenyl)-N-(3-methoxyphenyl)pyrazole-5-carboxamide
CID 46105523
methyl 2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)acetate
CID 121211967
2-methyl-1,3-dioxo-N-pyridin-3-ylisoindole-5-carboxamide
CID 973223
2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 1-ethyl-6-oxo-5-(pyridin-3-ylamino)-3-thiophen-3-ylpyridazine-4-carboxylate
CID 68893655

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-pyridin-3-yl-3-thiophen-3-ylpyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-pyridin-3-yl-3-thiophen-3-ylpyrazole-5-carboxamide (CID 42879297) is 1-ethyl-N-pyridin-3-yl-3-thiophen-3-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-pyridin-3-yl-3-thiophen-3-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-pyridin-3-yl-3-thiophen-3-ylpyrazole-5-carboxamide is CCn1nc(-c2ccsc2)cc1C(=O)Nc1cccnc1.
What is the InChIKey of 1-ethyl-N-pyridin-3-yl-3-thiophen-3-ylpyrazole-5-carboxamide?
The InChIKey is BGSKCWGRGKTQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-2-19-14(8-13(18-19)11-5-7-21-10-11)15(20)17-12-4-3-6-16-9-12/h3-10H,2H2,1H3,(H,17,20).
What are the key properties of 1-ethyl-N-pyridin-3-yl-3-thiophen-3-ylpyrazole-5-carboxamide?
1-ethyl-N-pyridin-3-yl-3-thiophen-3-ylpyrazole-5-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-pyridin-3-yl-3-thiophen-3-ylpyrazole-5-carboxamide is sourced from PubChem (CID 42879297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).