N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3,4-dimethoxy-N-methylbenzamide

C16H20BrN3O3 — CID 19460413

IUPACN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3,4-dimethoxy-N-methylbenzamide
SMILESCCn1ncc(Br)c1CN(C)C(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H20BrN3O3/c1-5-20-13(12(17)9-18-20)10-19(2)16(21)11-6-7-14(22-3)15(8-11)23-4/h6-9H,5,10H2,1-4H3
InChIKeyWQZVJSKJZUIROO-UHFFFAOYSA-N
MW382.26 g/mol
LogP2.95
Rot. Bonds6

About N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3,4-dimethoxy-N-methylbenzamide

N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3,4-dimethoxy-N-methylbenzamide (PubChem CID 19460413) has the molecular formula C16H20BrN3O3 and a molecular weight of 382.26 g/mol. Its IUPAC name is N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3,4-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3,4-dimethoxy-N-methylbenzamide
PubChem CID19460413
Molecular FormulaC16H20BrN3O3
Molecular Weight382.26 g/mol
Exact Mass381.07
IUPAC NameN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3,4-dimethoxy-N-methylbenzamide
SMILESCCn1ncc(Br)c1CN(C)C(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H20BrN3O3/c1-5-20-13(12(17)9-18-20)10-19(2)16(21)11-6-7-14(22-3)15(8-11)23-4/h6-9H,5,10H2,1-4H3
InChIKeyWQZVJSKJZUIROO-UHFFFAOYSA-N
XLogP2.95
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-ethyl-N-methylbenzamide
CID 19460410
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide
CID 19464591
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]-3-[(2-bromophenoxy)methyl]-N-methylbenzamide
CID 19460297
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 19451982
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-[(2,3-dichlorophenoxy)methyl]-N-methylbenzamide
CID 19460398
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,2,4-trimethylbenzamide
CID 19460411
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-[(4-chlorophenoxy)methyl]-4-methoxy-N-methylbenzamide
CID 19460820
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(3,4-diethoxyphenyl)-N-methylacetamide
CID 19460295
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-methoxy-N-methylbenzamide
CID 19460813
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3,4-dimethoxybenzamide
CID 19296867

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3,4-dimethoxy-N-methylbenzamide?
The IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3,4-dimethoxy-N-methylbenzamide (CID 19460413) is N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3,4-dimethoxy-N-methylbenzamide.
What is the SMILES notation for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3,4-dimethoxy-N-methylbenzamide?
The canonical SMILES for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3,4-dimethoxy-N-methylbenzamide is CCn1ncc(Br)c1CN(C)C(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3,4-dimethoxy-N-methylbenzamide?
The InChIKey is WQZVJSKJZUIROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O3/c1-5-20-13(12(17)9-18-20)10-19(2)16(21)11-6-7-14(22-3)15(8-11)23-4/h6-9H,5,10H2,1-4H3.
What are the key properties of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3,4-dimethoxy-N-methylbenzamide?
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3,4-dimethoxy-N-methylbenzamide has a molecular weight of 382.26 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3,4-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 19460413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).