3-bromo-N-[(2-ethylpyrazol-3-yl)methyl]-N-(2-hydroxyethyl)benzamide

C15H18BrN3O2 — CID 100629444

IUPAC3-bromo-N-[(2-ethylpyrazol-3-yl)methyl]-N-(2-hydroxyethyl)benzamide
SMILESCCn1nccc1CN(CCO)C(=O)c1cccc(Br)c1
InChIInChI=1S/C15H18BrN3O2/c1-2-19-14(6-7-17-19)11-18(8-9-20)15(21)12-4-3-5-13(16)10-12/h3-7,10,20H,2,8-9,11H2,1H3
InChIKeyKWCUBDPFYVGRCS-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.30
Rot. Bonds6

About 3-bromo-N-[(2-ethylpyrazol-3-yl)methyl]-N-(2-hydroxyethyl)benzamide

3-bromo-N-[(2-ethylpyrazol-3-yl)methyl]-N-(2-hydroxyethyl)benzamide (PubChem CID 100629444) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 3-bromo-N-[(2-ethylpyrazol-3-yl)methyl]-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-[(2-ethylpyrazol-3-yl)methyl]-N-(2-hydroxyethyl)benzamide
PubChem CID100629444
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name3-bromo-N-[(2-ethylpyrazol-3-yl)methyl]-N-(2-hydroxyethyl)benzamide
SMILESCCn1nccc1CN(CCO)C(=O)c1cccc(Br)c1
InChIInChI=1S/C15H18BrN3O2/c1-2-19-14(6-7-17-19)11-18(8-9-20)15(21)12-4-3-5-13(16)10-12/h3-7,10,20H,2,8-9,11H2,1H3
InChIKeyKWCUBDPFYVGRCS-UHFFFAOYSA-N
XLogP2.30
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-bromophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19454293
N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)benzamide
CID 19454355
3-bromo-N-(2-bromoethyl)-N-ethylbenzamide
CID 80659958
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19454310
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanone
CID 114639062
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
3-[(4-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19454276
N,N-bis(2-hydroxyethyl)-3-methylbenzamide
CID 60653227
N-[(2-ethylpyrazol-3-yl)methyl]-N-methylthiophene-2-carboxamide
CID 35520802
3-bromo-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 103849938
4-N-[(2-ethylpyrazol-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 122143622
5-[(2-ethylpyrazol-3-yl)methyl-(2-phenylethyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19494352

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2-ethylpyrazol-3-yl)methyl]-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 3-bromo-N-[(2-ethylpyrazol-3-yl)methyl]-N-(2-hydroxyethyl)benzamide (CID 100629444) is 3-bromo-N-[(2-ethylpyrazol-3-yl)methyl]-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 3-bromo-N-[(2-ethylpyrazol-3-yl)methyl]-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 3-bromo-N-[(2-ethylpyrazol-3-yl)methyl]-N-(2-hydroxyethyl)benzamide is CCn1nccc1CN(CCO)C(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(2-ethylpyrazol-3-yl)methyl]-N-(2-hydroxyethyl)benzamide?
The InChIKey is KWCUBDPFYVGRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-2-19-14(6-7-17-19)11-18(8-9-20)15(21)12-4-3-5-13(16)10-12/h3-7,10,20H,2,8-9,11H2,1H3.
What are the key properties of 3-bromo-N-[(2-ethylpyrazol-3-yl)methyl]-N-(2-hydroxyethyl)benzamide?
3-bromo-N-[(2-ethylpyrazol-3-yl)methyl]-N-(2-hydroxyethyl)benzamide has a molecular weight of 352.23 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2-ethylpyrazol-3-yl)methyl]-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 100629444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).