4-amino-1-ethyl-N-(2-thiophen-3-ylethyl)pyrazole-3-carboxamide

C12H16N4OS — CID 65358162

IUPAC4-amino-1-ethyl-N-(2-thiophen-3-ylethyl)pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)NCCc2ccsc2)n1
InChIInChI=1S/C12H16N4OS/c1-2-16-7-10(13)11(15-16)12(17)14-5-3-9-4-6-18-8-9/h4,6-8H,2-3,5,13H2,1H3,(H,14,17)
InChIKeyPVXCQPFKDXUBCW-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.52
Rot. Bonds5

About 4-amino-1-ethyl-N-(2-thiophen-3-ylethyl)pyrazole-3-carboxamide

4-amino-1-ethyl-N-(2-thiophen-3-ylethyl)pyrazole-3-carboxamide (PubChem CID 65358162) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-(2-thiophen-3-ylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-(2-thiophen-3-ylethyl)pyrazole-3-carboxamide
PubChem CID65358162
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name4-amino-1-ethyl-N-(2-thiophen-3-ylethyl)pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)NCCc2ccsc2)n1
InChIInChI=1S/C12H16N4OS/c1-2-16-7-10(13)11(15-16)12(17)14-5-3-9-4-6-18-8-9/h4,6-8H,2-3,5,13H2,1H3,(H,14,17)
InChIKeyPVXCQPFKDXUBCW-UHFFFAOYSA-N
XLogP1.52
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 65359089
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CID 65357738
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CID 106899160
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CID 65363321
4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrazole-3-carboxamide
CID 114615025
4-amino-N-(2,6-difluoro-3-methylphenyl)-1-ethylpyrazole-3-carboxamide
CID 82816028
4-amino-1-ethyl-N-pentan-3-ylpyrazole-3-carboxamide
CID 65359220
N-(2-thiophen-3-ylethyl)pyrimidine-2-carboxamide
CID 170939358
4-amino-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide
CID 19620372
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CID 107932272

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-(2-thiophen-3-ylethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-(2-thiophen-3-ylethyl)pyrazole-3-carboxamide (CID 65358162) is 4-amino-1-ethyl-N-(2-thiophen-3-ylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-(2-thiophen-3-ylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-(2-thiophen-3-ylethyl)pyrazole-3-carboxamide is CCn1cc(N)c(C(=O)NCCc2ccsc2)n1.
What is the InChIKey of 4-amino-1-ethyl-N-(2-thiophen-3-ylethyl)pyrazole-3-carboxamide?
The InChIKey is PVXCQPFKDXUBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-2-16-7-10(13)11(15-16)12(17)14-5-3-9-4-6-18-8-9/h4,6-8H,2-3,5,13H2,1H3,(H,14,17).
What are the key properties of 4-amino-1-ethyl-N-(2-thiophen-3-ylethyl)pyrazole-3-carboxamide?
4-amino-1-ethyl-N-(2-thiophen-3-ylethyl)pyrazole-3-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-(2-thiophen-3-ylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 65358162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).