2-bromo-N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide

C19H18BrN3OS — CID 72718634

IUPAC2-bromo-N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1nc(-c2cccs2)cc1C1CC1)c1ccccc1Br
InChIInChI=1S/C19H18BrN3OS/c20-15-5-2-1-4-14(15)19(24)21-9-10-23-17(13-7-8-13)12-16(22-23)18-6-3-11-25-18/h1-6,11-13H,7-10H2,(H,21,24)
InChIKeyJAGPUZDIXPLOHC-UHFFFAOYSA-N
MW416.34 g/mol
LogP4.68
Rot. Bonds6

About 2-bromo-N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide

2-bromo-N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide (PubChem CID 72718634) has the molecular formula C19H18BrN3OS and a molecular weight of 416.34 g/mol. Its IUPAC name is 2-bromo-N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
PubChem CID72718634
Molecular FormulaC19H18BrN3OS
Molecular Weight416.34 g/mol
Exact Mass415.04
IUPAC Name2-bromo-N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1nc(-c2cccs2)cc1C1CC1)c1ccccc1Br
InChIInChI=1S/C19H18BrN3OS/c20-15-5-2-1-4-14(15)19(24)21-9-10-23-17(13-7-8-13)12-16(22-23)18-6-3-11-25-18/h1-6,11-13H,7-10H2,(H,21,24)
InChIKeyJAGPUZDIXPLOHC-UHFFFAOYSA-N
XLogP4.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.34
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]thiophene-3-carboxamide
CID 72718613
N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-methylimidazole-4-sulfonamide
CID 72718654
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]naphthalene-1-carboxamide
CID 16905679
1-methyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-oxopyridine-3-carboxamide
CID 121169591
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide
CID 121169632
2-bromo-5-methoxy-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
CID 121139929
5-bromo-2-chloro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
CID 121139935
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 121139229
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-phenylacetamide
CID 121169714
(E)-N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 121139199
2,5-dichloro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
CID 121139893
N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 72718644

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide?
The IUPAC name of 2-bromo-N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide (CID 72718634) is 2-bromo-N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide is O=C(NCCn1nc(-c2cccs2)cc1C1CC1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide?
The InChIKey is JAGPUZDIXPLOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3OS/c20-15-5-2-1-4-14(15)19(24)21-9-10-23-17(13-7-8-13)12-16(22-23)18-6-3-11-25-18/h1-6,11-13H,7-10H2,(H,21,24).
What are the key properties of 2-bromo-N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide?
2-bromo-N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide has a molecular weight of 416.34 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 72718634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).