2-bromo-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide

C14H16BrN3O — CID 19414972

IUPAC2-bromo-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide
SMILESCCn1nccc1C(C)NC(=O)c1ccccc1Br
InChIInChI=1S/C14H16BrN3O/c1-3-18-13(8-9-16-18)10(2)17-14(19)11-6-4-5-7-12(11)15/h4-10H,3H2,1-2H3,(H,17,19)
InChIKeyVDQXZLVINHHSRN-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.16
Rot. Bonds4

About 2-bromo-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide

2-bromo-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide (PubChem CID 19414972) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 2-bromo-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide
PubChem CID19414972
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name2-bromo-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide
SMILESCCn1nccc1C(C)NC(=O)c1ccccc1Br
InChIInChI=1S/C14H16BrN3O/c1-3-18-13(8-9-16-18)10(2)17-14(19)11-6-4-5-7-12(11)15/h4-10H,3H2,1-2H3,(H,17,19)
InChIKeyVDQXZLVINHHSRN-UHFFFAOYSA-N
XLogP3.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dichloro-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide
CID 19415098
N-[1-(2-ethylpyrazol-3-yl)ethyl]-3-fluorobenzamide
CID 19415003
3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]propanamide
CID 19541623
4-[[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]amino]-4-oxobutanoic acid
CID 51388652
2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]propanamide
CID 19533530
2-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
CID 42998507
N-[1-(2-ethylpyrazol-3-yl)ethyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518466
N-[1-(2-ethylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 19583682
2-[2-[1-(2-ethylpyrazol-3-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485649
2-bromo-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 54878197
2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]acetamide
CID 19520165
N-[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 51570375

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide?
The IUPAC name of 2-bromo-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide (CID 19414972) is 2-bromo-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide?
The canonical SMILES for 2-bromo-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide is CCn1nccc1C(C)NC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide?
The InChIKey is VDQXZLVINHHSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-3-18-13(8-9-16-18)10(2)17-14(19)11-6-4-5-7-12(11)15/h4-10H,3H2,1-2H3,(H,17,19).
What are the key properties of 2-bromo-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide?
2-bromo-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide has a molecular weight of 322.21 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 19414972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).