N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-methoxy-N-methylbenzamide

C15H18BrN3O2 — CID 19451851

IUPACN-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-methoxy-N-methylbenzamide
SMILESCCn1cc(Br)c(CN(C)C(=O)c2ccccc2OC)n1
InChIInChI=1S/C15H18BrN3O2/c1-4-19-9-12(16)13(17-19)10-18(2)15(20)11-7-5-6-8-14(11)21-3/h5-9H,4,10H2,1-3H3
InChIKeyMVWGPJSNIOGWCA-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.95
Rot. Bonds5

About N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-methoxy-N-methylbenzamide

N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-methoxy-N-methylbenzamide (PubChem CID 19451851) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-methoxy-N-methylbenzamide
PubChem CID19451851
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC NameN-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-methoxy-N-methylbenzamide
SMILESCCn1cc(Br)c(CN(C)C(=O)c2ccccc2OC)n1
InChIInChI=1S/C15H18BrN3O2/c1-4-19-9-12(16)13(17-19)10-18(2)15(20)11-7-5-6-8-14(11)21-3/h5-9H,4,10H2,1-3H3
InChIKeyMVWGPJSNIOGWCA-UHFFFAOYSA-N
XLogP2.95
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-methoxy-N-methylbenzamide
CID 19450044
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 19451982
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chlorobenzoyl)-N-methylbenzamide
CID 19451989
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-7-(difluoromethyl)-5-(2-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19452033
3-bromo-N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19451986
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 19278009
N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxy-N-methylbenzamide
CID 19454265
3-[(4-bromo-1-ethylpyrazol-3-yl)methyl-methylcarbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19498314
(E)-N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-[4-methoxy-3-[(2-methylphenoxy)methyl]phenyl]-N-methylprop-2-enamide
CID 19451883
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-4-iodo-N,1-dimethylpyrazole-3-carboxamide
CID 19277989
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(1,3-dimethylpyrazol-4-yl)-N-methylquinoline-4-carboxamide
CID 19518821
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 19451997

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-methoxy-N-methylbenzamide?
The IUPAC name of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-methoxy-N-methylbenzamide (CID 19451851) is N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-methoxy-N-methylbenzamide?
The canonical SMILES for N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-methoxy-N-methylbenzamide is CCn1cc(Br)c(CN(C)C(=O)c2ccccc2OC)n1.
What is the InChIKey of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-methoxy-N-methylbenzamide?
The InChIKey is MVWGPJSNIOGWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-4-19-9-12(16)13(17-19)10-18(2)15(20)11-7-5-6-8-14(11)21-3/h5-9H,4,10H2,1-3H3.
What are the key properties of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-methoxy-N-methylbenzamide?
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-methoxy-N-methylbenzamide has a molecular weight of 352.23 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 19451851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).