2-(4-bromo-3-methylpyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide

C13H18BrN5O — CID 4769622

IUPAC2-(4-bromo-3-methylpyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide
SMILESCc1nn(CC(=O)N(C)Cc2cnn(C)c2C)cc1Br
InChIInChI=1S/C13H18BrN5O/c1-9-12(14)7-19(16-9)8-13(20)17(3)6-11-5-15-18(4)10(11)2/h5,7H,6,8H2,1-4H3
InChIKeyADZIMBCPXHJQHU-UHFFFAOYSA-N
MW340.23 g/mol
LogP1.65
Rot. Bonds4

About 2-(4-bromo-3-methylpyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide

2-(4-bromo-3-methylpyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide (PubChem CID 4769622) has the molecular formula C13H18BrN5O and a molecular weight of 340.23 g/mol. Its IUPAC name is 2-(4-bromo-3-methylpyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylpyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide
PubChem CID4769622
Molecular FormulaC13H18BrN5O
Molecular Weight340.23 g/mol
Exact Mass339.07
IUPAC Name2-(4-bromo-3-methylpyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide
SMILESCc1nn(CC(=O)N(C)Cc2cnn(C)c2C)cc1Br
InChIInChI=1S/C13H18BrN5O/c1-9-12(14)7-19(16-9)8-13(20)17(3)6-11-5-15-18(4)10(11)2/h5,7H,6,8H2,1-4H3
InChIKeyADZIMBCPXHJQHU-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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Related Compounds

2-[4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-1-(4-methyl-1H-pyrazol-1-yl)ethanone
CID 4770341
2-(4-bromo-3-methyl-1H-pyrazol-1-yl)-1-{4-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}ethanone
CID 4769927
2-(4-bromo-3-methyl-1H-pyrazol-1-yl)-1-{4-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}ethanone
CID 4770828
2-(4-bromo-3-methyl-1H-pyrazol-1-yl)-1-{4-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}ethanone
CID 4771290
2-(4-chloro-3-methyl-1H-pyrazol-1-yl)-1-{4-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}ethanone
CID 4771902
3-(4-bromo-3-methyl-1H-pyrazol-1-yl)-N-[(4-chloro-1-methyl-1H-pyrazol-5-yl)methyl]-N-methylpropanamide
CID 4777393
4-bromo-1-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19267328
4-bromo-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19267338
3-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-YL)-1-{4-[(1,5-dimethyl-1H-pyrazol-4-YL)methyl]piperazino}-1-propanone
CID 19575420
3-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylpropanamide
CID 1000446
4-bromo-1-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 4769251
2-(4-bromo-5-methyl-1H-pyrazol-1-yl)-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide
CID 4769280

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylpyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-(4-bromo-3-methylpyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide (CID 4769622) is 2-(4-bromo-3-methylpyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-bromo-3-methylpyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(4-bromo-3-methylpyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide is Cc1nn(CC(=O)N(C)Cc2cnn(C)c2C)cc1Br.
What is the InChIKey of 2-(4-bromo-3-methylpyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide?
The InChIKey is ADZIMBCPXHJQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN5O/c1-9-12(14)7-19(16-9)8-13(20)17(3)6-11-5-15-18(4)10(11)2/h5,7H,6,8H2,1-4H3.
What are the key properties of 2-(4-bromo-3-methylpyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide?
2-(4-bromo-3-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-3-methylpyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 4769622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).