3-(2-bromophenyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propanamide

C18H18BrN3OS — CID 122265200

IUPAC3-(2-bromophenyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propanamide
SMILESO=C(CCc1ccccc1Br)NCC(c1cccs1)n1cccn1
InChIInChI=1S/C18H18BrN3OS/c19-15-6-2-1-5-14(15)8-9-18(23)20-13-16(17-7-3-12-24-17)22-11-4-10-21-22/h1-7,10-12,16H,8-9,13H2,(H,20,23)
InChIKeyJLWAXEIDDQQCAP-UHFFFAOYSA-N
MW404.33 g/mol
LogP4.05
Rot. Bonds7

About 3-(2-bromophenyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propanamide

3-(2-bromophenyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propanamide (PubChem CID 122265200) has the molecular formula C18H18BrN3OS and a molecular weight of 404.33 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propanamide
PubChem CID122265200
Molecular FormulaC18H18BrN3OS
Molecular Weight404.33 g/mol
Exact Mass403.04
IUPAC Name3-(2-bromophenyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propanamide
SMILESO=C(CCc1ccccc1Br)NCC(c1cccs1)n1cccn1
InChIInChI=1S/C18H18BrN3OS/c19-15-6-2-1-5-14(15)8-9-18(23)20-13-16(17-7-3-12-24-17)22-11-4-10-21-22/h1-7,10-12,16H,8-9,13H2,(H,20,23)
InChIKeyJLWAXEIDDQQCAP-UHFFFAOYSA-N
XLogP4.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.33
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide
CID 122265035
3-(2-bromophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]propanamide
CID 122264757
3-phenylsulfanyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propanamide
CID 122265128
2-(4-fluorophenyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)acetamide
CID 122265077
4-(1,3-dioxoisoindol-2-yl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide
CID 122265180
methyl N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)carbamate
CID 122265033
2-(2-fluorophenoxy)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)acetamide
CID 122265100
2-phenyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide
CID 119102022
2-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265055
4-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265056
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)adamantane-1-carboxamide
CID 122265113
2-oxo-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)imidazolidine-1-carboxamide
CID 119102036

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propanamide?
The IUPAC name of 3-(2-bromophenyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propanamide (CID 122265200) is 3-(2-bromophenyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for 3-(2-bromophenyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for 3-(2-bromophenyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propanamide is O=C(CCc1ccccc1Br)NCC(c1cccs1)n1cccn1.
What is the InChIKey of 3-(2-bromophenyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propanamide?
The InChIKey is JLWAXEIDDQQCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3OS/c19-15-6-2-1-5-14(15)8-9-18(23)20-13-16(17-7-3-12-24-17)22-11-4-10-21-22/h1-7,10-12,16H,8-9,13H2,(H,20,23).
What are the key properties of 3-(2-bromophenyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propanamide?
3-(2-bromophenyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propanamide has a molecular weight of 404.33 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 122265200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).