4-amino-5-ethyl-N-(1-thiophen-3-ylethyl)-1H-pyrazole-3-carboxamide

C12H16N4OS — CID 62841807

IUPAC4-amino-5-ethyl-N-(1-thiophen-3-ylethyl)-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NC(C)c2ccsc2)c1N
InChIInChI=1S/C12H16N4OS/c1-3-9-10(13)11(16-15-9)12(17)14-7(2)8-4-5-18-6-8/h4-7H,3,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyXEUMPFRAFLDGQE-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.11
Rot. Bonds4

About 4-amino-5-ethyl-N-(1-thiophen-3-ylethyl)-1H-pyrazole-3-carboxamide

4-amino-5-ethyl-N-(1-thiophen-3-ylethyl)-1H-pyrazole-3-carboxamide (PubChem CID 62841807) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-amino-5-ethyl-N-(1-thiophen-3-ylethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-ethyl-N-(1-thiophen-3-ylethyl)-1H-pyrazole-3-carboxamide
PubChem CID62841807
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name4-amino-5-ethyl-N-(1-thiophen-3-ylethyl)-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NC(C)c2ccsc2)c1N
InChIInChI=1S/C12H16N4OS/c1-3-9-10(13)11(16-15-9)12(17)14-7(2)8-4-5-18-6-8/h4-7H,3,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyXEUMPFRAFLDGQE-UHFFFAOYSA-N
XLogP2.11
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-ethyl-N-[1-(4-methylphenyl)ethyl]-1H-pyrazole-3-carboxamide
CID 62080944
4-amino-5-ethyl-N-[1-(furan-2-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 62082159
4-amino-N-[1-(2-chlorophenyl)ethyl]-5-ethyl-1H-pyrazole-3-carboxamide
CID 62081467
4-oxo-N-(1-thiophen-3-ylethyl)-3H-phthalazine-1-carboxamide
CID 62843922
4-amino-5-propyl-N-(1-pyridin-4-ylethyl)-1H-pyrazole-3-carboxamide
CID 62076755
4-amino-5-ethyl-N-(3-methylpentan-2-yl)-1H-pyrazole-3-carboxamide
CID 62080976
4-amino-5-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-3-carboxamide
CID 79248265
4-amino-5-ethyl-N-(4-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide
CID 62082857
3-amino-N-(1-thiophen-3-ylethyl)pyridine-2-carboxamide
CID 104742232
4-amino-5-propyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 106208024
4-amino-5-ethyl-N-hexan-3-yl-1H-pyrazole-3-carboxamide
CID 62092746
6-amino-N-(1-thiophen-3-ylethyl)pyridazine-3-carboxamide
CID 62844280

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-N-(1-thiophen-3-ylethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-ethyl-N-(1-thiophen-3-ylethyl)-1H-pyrazole-3-carboxamide (CID 62841807) is 4-amino-5-ethyl-N-(1-thiophen-3-ylethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-ethyl-N-(1-thiophen-3-ylethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-ethyl-N-(1-thiophen-3-ylethyl)-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)NC(C)c2ccsc2)c1N.
What is the InChIKey of 4-amino-5-ethyl-N-(1-thiophen-3-ylethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is XEUMPFRAFLDGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-3-9-10(13)11(16-15-9)12(17)14-7(2)8-4-5-18-6-8/h4-7H,3,13H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 4-amino-5-ethyl-N-(1-thiophen-3-ylethyl)-1H-pyrazole-3-carboxamide?
4-amino-5-ethyl-N-(1-thiophen-3-ylethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-N-(1-thiophen-3-ylethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62841807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).