N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-ethyl-N-methylbenzamide

C16H20BrN3O — CID 19460410

IUPACN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-ethyl-N-methylbenzamide
SMILESCCc1ccc(C(=O)N(C)Cc2c(Br)cnn2CC)cc1
InChIInChI=1S/C16H20BrN3O/c1-4-12-6-8-13(9-7-12)16(21)19(3)11-15-14(17)10-18-20(15)5-2/h6-10H,4-5,11H2,1-3H3
InChIKeyKBTXCISETZYRPG-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.50
Rot. Bonds5

About N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-ethyl-N-methylbenzamide

N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-ethyl-N-methylbenzamide (PubChem CID 19460410) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-ethyl-N-methylbenzamide.

Molecular Properties

Compound NameN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-ethyl-N-methylbenzamide
PubChem CID19460410
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC NameN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-ethyl-N-methylbenzamide
SMILESCCc1ccc(C(=O)N(C)Cc2c(Br)cnn2CC)cc1
InChIInChI=1S/C16H20BrN3O/c1-4-12-6-8-13(9-7-12)16(21)19(3)11-15-14(17)10-18-20(15)5-2/h6-10H,4-5,11H2,1-3H3
InChIKeyKBTXCISETZYRPG-UHFFFAOYSA-N
XLogP3.50
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-[(4-chlorophenoxy)methyl]-N-methylbenzamide
CID 19460406
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 19460413
4-[(4-bromo-2-chlorophenoxy)methyl]-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methylbenzamide
CID 19460385
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,2,4-trimethylbenzamide
CID 19460411
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-[(2-bromophenoxy)methyl]-N-methylbenzamide
CID 19460297
4-bromo-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 60630849
4,5-dibromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 19515419
4-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylbenzamide
CID 19454035
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-methoxy-N-methylbenzamide
CID 19460813
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(3,4-diethoxyphenyl)-N-methylacetamide
CID 19460295
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-[(2,3-dichlorophenoxy)methyl]-N-methylbenzamide
CID 19460398
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-chloro-N,1,3-trimethylpyrazole-5-carboxamide
CID 19507729

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-ethyl-N-methylbenzamide?
The IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-ethyl-N-methylbenzamide (CID 19460410) is N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-ethyl-N-methylbenzamide.
What is the SMILES notation for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-ethyl-N-methylbenzamide?
The canonical SMILES for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-ethyl-N-methylbenzamide is CCc1ccc(C(=O)N(C)Cc2c(Br)cnn2CC)cc1.
What is the InChIKey of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-ethyl-N-methylbenzamide?
The InChIKey is KBTXCISETZYRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-4-12-6-8-13(9-7-12)16(21)19(3)11-15-14(17)10-18-20(15)5-2/h6-10H,4-5,11H2,1-3H3.
What are the key properties of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-ethyl-N-methylbenzamide?
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-ethyl-N-methylbenzamide has a molecular weight of 350.26 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-ethyl-N-methylbenzamide is sourced from PubChem (CID 19460410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).