3-bromo-2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzamide

C14H16BrN3O — CID 103707551

IUPAC3-bromo-2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzamide
SMILESCc1cnn(CCNC(=O)c2cccc(Br)c2C)c1
InChIInChI=1S/C14H16BrN3O/c1-10-8-17-18(9-10)7-6-16-14(19)12-4-3-5-13(15)11(12)2/h3-5,8-9H,6-7H2,1-2H3,(H,16,19)
InChIKeyWRMDDYPIZIWZCF-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.69
Rot. Bonds4

About 3-bromo-2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzamide

3-bromo-2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzamide (PubChem CID 103707551) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 3-bromo-2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzamide
PubChem CID103707551
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name3-bromo-2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzamide
SMILESCc1cnn(CCNC(=O)c2cccc(Br)c2C)c1
InChIInChI=1S/C14H16BrN3O/c1-10-8-17-18(9-10)7-6-16-14(19)12-4-3-5-13(15)11(12)2/h3-5,8-9H,6-7H2,1-2H3,(H,16,19)
InChIKeyWRMDDYPIZIWZCF-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methylpyrazol-1-yl)ethyl]-2-sulfanylbenzamide
CID 114130493
N-[2-(4-methylpyrazol-1-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103337525
2-(4-bromophenyl)sulfanyl-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridine-3-carboxamide
CID 86968197
4,5-dibromo-N-[2-(4-methylpyrazol-1-yl)ethyl]thiophene-2-carboxamide
CID 113237995
2-(4-methylbenzoyl)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
CID 19328159
2-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-phenylacetamide
CID 114130254
N-[2-(4-bromopyrazol-1-yl)ethyl]-2-iodobenzamide
CID 19282707
3-bromo-2-methyl-N-(3-methylsulfanylbutyl)benzamide
CID 115659875
3-bromo-N-(3-hydroxy-4-methylpentyl)-2-methylbenzamide
CID 111470382
3-bromo-N-(4-bromopentyl)-2-methylbenzamide
CID 106130435
5-[(2-chlorobenzoyl)amino]-3-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]thiophene-2-carboxamide
CID 86968195
6-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridine-3-carboxamide
CID 113237981

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzamide?
The IUPAC name of 3-bromo-2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzamide (CID 103707551) is 3-bromo-2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 3-bromo-2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzamide?
The canonical SMILES for 3-bromo-2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzamide is Cc1cnn(CCNC(=O)c2cccc(Br)c2C)c1.
What is the InChIKey of 3-bromo-2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzamide?
The InChIKey is WRMDDYPIZIWZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-10-8-17-18(9-10)7-6-16-14(19)12-4-3-5-13(15)11(12)2/h3-5,8-9H,6-7H2,1-2H3,(H,16,19).
What are the key properties of 3-bromo-2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzamide?
3-bromo-2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzamide has a molecular weight of 322.21 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 103707551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).