2-(4-bromo-5-methylpyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide

C13H18BrN5O — CID 4769280

IUPAC2-(4-bromo-5-methylpyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide
SMILESCc1c(CN(C)C(=O)Cn2ncc(Br)c2C)cnn1C
InChIInChI=1S/C13H18BrN5O/c1-9-11(5-15-18(9)4)7-17(3)13(20)8-19-10(2)12(14)6-16-19/h5-6H,7-8H2,1-4H3
InChIKeySXHVITDVGCYNBS-UHFFFAOYSA-N
MW340.23 g/mol
LogP1.65
Rot. Bonds4

About 2-(4-bromo-5-methylpyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide

2-(4-bromo-5-methylpyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide (PubChem CID 4769280) has the molecular formula C13H18BrN5O and a molecular weight of 340.23 g/mol. Its IUPAC name is 2-(4-bromo-5-methylpyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-bromo-5-methylpyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide
PubChem CID4769280
Molecular FormulaC13H18BrN5O
Molecular Weight340.23 g/mol
Exact Mass339.07
IUPAC Name2-(4-bromo-5-methylpyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide
SMILESCc1c(CN(C)C(=O)Cn2ncc(Br)c2C)cnn1C
InChIInChI=1S/C13H18BrN5O/c1-9-11(5-15-18(9)4)7-17(3)13(20)8-19-10(2)12(14)6-16-19/h5-6H,7-8H2,1-4H3
InChIKeySXHVITDVGCYNBS-UHFFFAOYSA-N
XLogP1.65
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.23
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methylpyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-(4-bromo-5-methylpyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide (CID 4769280) is 2-(4-bromo-5-methylpyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-bromo-5-methylpyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(4-bromo-5-methylpyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide is Cc1c(CN(C)C(=O)Cn2ncc(Br)c2C)cnn1C.
What is the InChIKey of 2-(4-bromo-5-methylpyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide?
The InChIKey is SXHVITDVGCYNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN5O/c1-9-11(5-15-18(9)4)7-17(3)13(20)8-19-10(2)12(14)6-16-19/h5-6H,7-8H2,1-4H3.
What are the key properties of 2-(4-bromo-5-methylpyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide?
2-(4-bromo-5-methylpyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide has a molecular weight of 340.23 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methylpyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 4769280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).