4-(4-bromopyrazol-1-yl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide

C16H14BrN3OS — CID 35697497

IUPAC4-(4-bromopyrazol-1-yl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(-n2cc(Br)cn2)cc1)c1cccs1
InChIInChI=1S/C16H14BrN3OS/c1-11(15-3-2-8-22-15)19-16(21)12-4-6-14(7-5-12)20-10-13(17)9-18-20/h2-11H,1H3,(H,19,21)/t11-/m1/s1
InChIKeyOKQSMLPCHLOBHY-LLVKDONJSA-N
MW376.28 g/mol
LogP4.19
Rot. Bonds4

About 4-(4-bromopyrazol-1-yl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide

4-(4-bromopyrazol-1-yl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide (PubChem CID 35697497) has the molecular formula C16H14BrN3OS and a molecular weight of 376.28 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide
PubChem CID35697497
Molecular FormulaC16H14BrN3OS
Molecular Weight376.28 g/mol
Exact Mass375.00
IUPAC Name4-(4-bromopyrazol-1-yl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(-n2cc(Br)cn2)cc1)c1cccs1
InChIInChI=1S/C16H14BrN3OS/c1-11(15-3-2-8-22-15)19-16(21)12-4-6-14(7-5-12)20-10-13(17)9-18-20/h2-11H,1H3,(H,19,21)/t11-/m1/s1
InChIKeyOKQSMLPCHLOBHY-LLVKDONJSA-N
XLogP4.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.28
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromopyrazol-1-yl)-N-(1-pyridin-2-ylethyl)benzamide
CID 55629173
4-(4-bromopyrazol-1-yl)-N-methylbenzamide
CID 47027650
6-bromo-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 66462490
N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7742310
4-benzoyl-N-(1-thiophen-2-ylethyl)benzamide
CID 17431646
4-hydrazinyl-N-(1-thiophen-2-ylethyl)benzamide
CID 62241392
6-chloro-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 42907558
N-(1-thiophen-2-ylethyl)pyridazine-4-carboxamide
CID 91510473
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(1-thiophen-2-ylethyl)benzamide
CID 18110994
4-amino-3-methyl-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 81408416
4-(4-bromopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)benzamide
CID 32609396

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide?
The IUPAC name of 4-(4-bromopyrazol-1-yl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide (CID 35697497) is 4-(4-bromopyrazol-1-yl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide is C[C@@H](NC(=O)c1ccc(-n2cc(Br)cn2)cc1)c1cccs1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide?
The InChIKey is OKQSMLPCHLOBHY-LLVKDONJSA-N. The full InChI is InChI=1S/C16H14BrN3OS/c1-11(15-3-2-8-22-15)19-16(21)12-4-6-14(7-5-12)20-10-13(17)9-18-20/h2-11H,1H3,(H,19,21)/t11-/m1/s1.
What are the key properties of 4-(4-bromopyrazol-1-yl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide?
4-(4-bromopyrazol-1-yl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide has a molecular weight of 376.28 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromopyrazol-1-yl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 35697497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).