2-bromo-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide

C14H16BrN3O — CID 110717101

IUPAC2-bromo-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide
SMILESCc1n[nH]c(C)c1CCNC(=O)c1ccccc1Br
InChIInChI=1S/C14H16BrN3O/c1-9-11(10(2)18-17-9)7-8-16-14(19)12-5-3-4-6-13(12)15/h3-6H,7-8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyJQMWGVZLODYECQ-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.76
Rot. Bonds4

About 2-bromo-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide

2-bromo-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide (PubChem CID 110717101) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 2-bromo-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide
PubChem CID110717101
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name2-bromo-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide
SMILESCc1n[nH]c(C)c1CCNC(=O)c1ccccc1Br
InChIInChI=1S/C14H16BrN3O/c1-9-11(10(2)18-17-9)7-8-16-14(19)12-5-3-4-6-13(12)15/h3-6H,7-8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyJQMWGVZLODYECQ-UHFFFAOYSA-N
XLogP2.76
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2,3,4-trifluorobenzamide
CID 110717138
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110742816
2-bromo-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62315224
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-methyl-1,3-oxazole-2-carboxamide
CID 112529920
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-phenoxypropanamide
CID 110717126
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-ethyl-1-benzofuran-3-carboxamide
CID 126828085
2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl 3-bromo-2-fluorobenzoate
CID 99833477
1-tert-butyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]pyrrole-3-carboxamide
CID 90649604
2-bromo-N-(2-chloroethyl)benzamide
CID 12793324
(2S)-2-amino-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 171149651
2-bromo-N-(2-methylsulfanylethyl)benzamide
CID 51889373
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 119065481

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 2-bromo-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide (CID 110717101) is 2-bromo-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide is Cc1n[nH]c(C)c1CCNC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide?
The InChIKey is JQMWGVZLODYECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-9-11(10(2)18-17-9)7-8-16-14(19)12-5-3-4-6-13(12)15/h3-6H,7-8H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-bromo-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide?
2-bromo-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide has a molecular weight of 322.21 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 110717101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).