N-[2-(5-bromothiophen-2-yl)ethyl]-1-ethylpyrazole-4-carboxamide

C12H14BrN3OS — CID 71931193

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCCc2ccc(Br)s2)cn1
InChIInChI=1S/C12H14BrN3OS/c1-2-16-8-9(7-15-16)12(17)14-6-5-10-3-4-11(13)18-10/h3-4,7-8H,2,5-6H2,1H3,(H,14,17)
InChIKeyQNHZHCJDBFUNBQ-UHFFFAOYSA-N
MW328.24 g/mol
LogP2.70
Rot. Bonds5

About N-[2-(5-bromothiophen-2-yl)ethyl]-1-ethylpyrazole-4-carboxamide

N-[2-(5-bromothiophen-2-yl)ethyl]-1-ethylpyrazole-4-carboxamide (PubChem CID 71931193) has the molecular formula C12H14BrN3OS and a molecular weight of 328.24 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-1-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-1-ethylpyrazole-4-carboxamide
PubChem CID71931193
Molecular FormulaC12H14BrN3OS
Molecular Weight328.24 g/mol
Exact Mass327.00
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCCc2ccc(Br)s2)cn1
InChIInChI=1S/C12H14BrN3OS/c1-2-16-8-9(7-15-16)12(17)14-6-5-10-3-4-11(13)18-10/h3-4,7-8H,2,5-6H2,1H3,(H,14,17)
InChIKeyQNHZHCJDBFUNBQ-UHFFFAOYSA-N
XLogP2.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]-6-methylpyridine-3-carboxamide
CID 30389923
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(ethylamino)benzamide
CID 106050450
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(dimethylamino)benzamide
CID 26082273
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzamide
CID 113228249
4-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-1-methylpyrrole-2-carboxamide
CID 114138973
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(chloromethyl)benzamide
CID 114138984
N-[2-(5-bromothiophen-2-yl)ethyl]-5-(ethylamino)pyridine-2-carboxamide
CID 106050529
N-[2-(5-bromo-2-oxo-1-pyridinyl)ethyl]-1-ethylpyrazole-4-carboxamide
CID 126454671
4-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-3-hydroxybenzamide
CID 103872156
N-(2-amino-2-methylpropyl)-1-ethylpyrazole-4-carboxamide
CID 119627511
N-[2-(5-bromothiophen-2-yl)ethyl]-2-methyl-6-(methylamino)pyridine-4-carboxamide
CID 106050469
1-ethyl-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide
CID 111460800

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-1-ethylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-1-ethylpyrazole-4-carboxamide (CID 71931193) is N-[2-(5-bromothiophen-2-yl)ethyl]-1-ethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-1-ethylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-1-ethylpyrazole-4-carboxamide is CCn1cc(C(=O)NCCc2ccc(Br)s2)cn1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-1-ethylpyrazole-4-carboxamide?
The InChIKey is QNHZHCJDBFUNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3OS/c1-2-16-8-9(7-15-16)12(17)14-6-5-10-3-4-11(13)18-10/h3-4,7-8H,2,5-6H2,1H3,(H,14,17).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-1-ethylpyrazole-4-carboxamide?
N-[2-(5-bromothiophen-2-yl)ethyl]-1-ethylpyrazole-4-carboxamide has a molecular weight of 328.24 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-1-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 71931193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).