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

C16H13BrClN3OS — CID 121139935

IUPAC5-bromo-2-chloro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1ccc(-c2cccs2)n1)c1cc(Br)ccc1Cl
InChIInChI=1S/C16H13BrClN3OS/c17-11-3-4-13(18)12(10-11)16(22)19-6-8-21-7-5-14(20-21)15-2-1-9-23-15/h1-5,7,9-10H,6,8H2,(H,19,22)
InChIKeyZBSPBGZBDPXDHQ-UHFFFAOYSA-N
MW410.72 g/mol
LogP4.46
Rot. Bonds5

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

5-bromo-2-chloro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide (PubChem CID 121139935) has the molecular formula C16H13BrClN3OS and a molecular weight of 410.72 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
PubChem CID121139935
Molecular FormulaC16H13BrClN3OS
Molecular Weight410.72 g/mol
Exact Mass408.97
IUPAC Name5-bromo-2-chloro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1ccc(-c2cccs2)n1)c1cc(Br)ccc1Cl
InChIInChI=1S/C16H13BrClN3OS/c17-11-3-4-13(18)12(10-11)16(22)19-6-8-21-7-5-14(20-21)15-2-1-9-23-15/h1-5,7,9-10H,6,8H2,(H,19,22)
InChIKeyZBSPBGZBDPXDHQ-UHFFFAOYSA-N
XLogP4.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.72
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
CID 121139893
2-bromo-5-methoxy-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
CID 121139929
2-ethyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]butanamide
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5-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide
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5-bromo-2-chloro-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide
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N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,3-benzothiazole-2-carboxamide
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5-bromo-2-chloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
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(1R)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclohex-3-ene-1-carboxamide
CID 97417285
2-bromo-N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide (CID 121139935) is 5-bromo-2-chloro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide is O=C(NCCn1ccc(-c2cccs2)n1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide?
The InChIKey is ZBSPBGZBDPXDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClN3OS/c17-11-3-4-13(18)12(10-11)16(22)19-6-8-21-7-5-14(20-21)15-2-1-9-23-15/h1-5,7,9-10H,6,8H2,(H,19,22).
What are the key properties of 5-bromo-2-chloro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide?
5-bromo-2-chloro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide has a molecular weight of 410.72 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 121139935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).