2-(4-bromopyrazol-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide

C14H16BrN3O2 — CID 47265404

IUPAC2-(4-bromopyrazol-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccccc1CN(C)C(=O)Cn1cc(Br)cn1
InChIInChI=1S/C14H16BrN3O2/c1-17(8-11-5-3-4-6-13(11)20-2)14(19)10-18-9-12(15)7-16-18/h3-7,9H,8,10H2,1-2H3
InChIKeyBURLYLWENIPCFS-UHFFFAOYSA-N
MW338.21 g/mol
LogP2.31
Rot. Bonds5

About 2-(4-bromopyrazol-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide

2-(4-bromopyrazol-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 47265404) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID47265404
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name2-(4-bromopyrazol-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccccc1CN(C)C(=O)Cn1cc(Br)cn1
InChIInChI=1S/C14H16BrN3O2/c1-17(8-11-5-3-4-6-13(11)20-2)14(19)10-18-9-12(15)7-16-18/h3-7,9H,8,10H2,1-2H3
InChIKeyBURLYLWENIPCFS-UHFFFAOYSA-N
XLogP2.31
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide (CID 47265404) is 2-(4-bromopyrazol-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide is COc1ccccc1CN(C)C(=O)Cn1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is BURLYLWENIPCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-17(8-11-5-3-4-6-13(11)20-2)14(19)10-18-9-12(15)7-16-18/h3-7,9H,8,10H2,1-2H3.
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
2-(4-bromopyrazol-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 338.21 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 47265404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).