4-bromo-N-[1-(1-ethylpyrazol-3-yl)ethyl]thiophene-2-carboxamide

C12H14BrN3OS — CID 17024882

IUPAC4-bromo-N-[1-(1-ethylpyrazol-3-yl)ethyl]thiophene-2-carboxamide
SMILESCCn1ccc(C(C)NC(=O)c2cc(Br)cs2)n1
InChIInChI=1S/C12H14BrN3OS/c1-3-16-5-4-10(15-16)8(2)14-12(17)11-6-9(13)7-18-11/h4-8H,3H2,1-2H3,(H,14,17)
InChIKeyROZBHLLHMNBKPP-UHFFFAOYSA-N
MW328.24 g/mol
LogP3.22
Rot. Bonds4

About 4-bromo-N-[1-(1-ethylpyrazol-3-yl)ethyl]thiophene-2-carboxamide

4-bromo-N-[1-(1-ethylpyrazol-3-yl)ethyl]thiophene-2-carboxamide (PubChem CID 17024882) has the molecular formula C12H14BrN3OS and a molecular weight of 328.24 g/mol. Its IUPAC name is 4-bromo-N-[1-(1-ethylpyrazol-3-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[1-(1-ethylpyrazol-3-yl)ethyl]thiophene-2-carboxamide
PubChem CID17024882
Molecular FormulaC12H14BrN3OS
Molecular Weight328.24 g/mol
Exact Mass327.00
IUPAC Name4-bromo-N-[1-(1-ethylpyrazol-3-yl)ethyl]thiophene-2-carboxamide
SMILESCCn1ccc(C(C)NC(=O)c2cc(Br)cs2)n1
InChIInChI=1S/C12H14BrN3OS/c1-3-16-5-4-10(15-16)8(2)14-12(17)11-6-9(13)7-18-11/h4-8H,3H2,1-2H3,(H,14,17)
InChIKeyROZBHLLHMNBKPP-UHFFFAOYSA-N
XLogP3.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-[1-(1-ethylpyrazol-3-yl)ethyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(1-ethylpyrazol-3-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 4-bromo-N-[1-(1-ethylpyrazol-3-yl)ethyl]thiophene-2-carboxamide (CID 17024882) is 4-bromo-N-[1-(1-ethylpyrazol-3-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[1-(1-ethylpyrazol-3-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 4-bromo-N-[1-(1-ethylpyrazol-3-yl)ethyl]thiophene-2-carboxamide is CCn1ccc(C(C)NC(=O)c2cc(Br)cs2)n1.
What is the InChIKey of 4-bromo-N-[1-(1-ethylpyrazol-3-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is ROZBHLLHMNBKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3OS/c1-3-16-5-4-10(15-16)8(2)14-12(17)11-6-9(13)7-18-11/h4-8H,3H2,1-2H3,(H,14,17).
What are the key properties of 4-bromo-N-[1-(1-ethylpyrazol-3-yl)ethyl]thiophene-2-carboxamide?
4-bromo-N-[1-(1-ethylpyrazol-3-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 328.24 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(1-ethylpyrazol-3-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 17024882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).