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

C14H15Br2N3O — CID 19451986

IUPAC3-bromo-N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
SMILESCCn1cc(Br)c(CN(C)C(=O)c2cccc(Br)c2)n1
InChIInChI=1S/C14H15Br2N3O/c1-3-19-8-12(16)13(17-19)9-18(2)14(20)10-5-4-6-11(15)7-10/h4-8H,3,9H2,1-2H3
InChIKeyUBGYSLRRQFKPBK-UHFFFAOYSA-N
MW401.10 g/mol
LogP3.70
Rot. Bonds4

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

3-bromo-N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide (PubChem CID 19451986) has the molecular formula C14H15Br2N3O and a molecular weight of 401.10 g/mol. Its IUPAC name is 3-bromo-N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
PubChem CID19451986
Molecular FormulaC14H15Br2N3O
Molecular Weight401.10 g/mol
Exact Mass398.96
IUPAC Name3-bromo-N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
SMILESCCn1cc(Br)c(CN(C)C(=O)c2cccc(Br)c2)n1
InChIInChI=1S/C14H15Br2N3O/c1-3-19-8-12(16)13(17-19)9-18(2)14(20)10-5-4-6-11(15)7-10/h4-8H,3,9H2,1-2H3
InChIKeyUBGYSLRRQFKPBK-UHFFFAOYSA-N
XLogP3.70
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.10
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 19451982
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
CID 19451873
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 19278009
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methyl-3-[(4-nitrophenoxy)methyl]benzamide
CID 19451944
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,3-dimethylbenzamide
CID 19450031
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-methoxy-N-methylbenzamide
CID 19451851
1-benzyl-N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N,2,3-trimethylindole-5-carboxamide
CID 19451818
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chlorobenzoyl)-N-methylbenzamide
CID 19451989
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-bromopyrazol-1-yl)-N-methylacetamide
CID 19531206
(E)-3-(4-bromo-1-ethylpyrazol-3-yl)-1-(3-bromophenyl)prop-2-en-1-one
CID 19551082
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-4-iodo-N,1-dimethylpyrazole-3-carboxamide
CID 19277989
3-[(4-bromo-1-ethylpyrazol-3-yl)methyl-methylcarbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19498314

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide?
The IUPAC name of 3-bromo-N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide (CID 19451986) is 3-bromo-N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-bromo-N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide is CCn1cc(Br)c(CN(C)C(=O)c2cccc(Br)c2)n1.
What is the InChIKey of 3-bromo-N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide?
The InChIKey is UBGYSLRRQFKPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2N3O/c1-3-19-8-12(16)13(17-19)9-18(2)14(20)10-5-4-6-11(15)7-10/h4-8H,3,9H2,1-2H3.
What are the key properties of 3-bromo-N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide?
3-bromo-N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide has a molecular weight of 401.10 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 19451986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).