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

C14H20BrN5O — CID 19525481

IUPAC2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]acetamide
SMILESCCn1ncc(CNC(=O)Cn2nc(C)c(Br)c2C)c1C
InChIInChI=1S/C14H20BrN5O/c1-5-19-10(3)12(7-17-19)6-16-13(21)8-20-11(4)14(15)9(2)18-20/h7H,5-6,8H2,1-4H3,(H,16,21)
InChIKeyARIXVZOGGLSUHJ-UHFFFAOYSA-N
MW354.25 g/mol
LogP2.10
Rot. Bonds5

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

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]acetamide (PubChem CID 19525481) has the molecular formula C14H20BrN5O and a molecular weight of 354.25 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]acetamide
PubChem CID19525481
Molecular FormulaC14H20BrN5O
Molecular Weight354.25 g/mol
Exact Mass353.09
IUPAC Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]acetamide
SMILESCCn1ncc(CNC(=O)Cn2nc(C)c(Br)c2C)c1C
InChIInChI=1S/C14H20BrN5O/c1-5-19-10(3)12(7-17-19)6-16-13(21)8-20-11(4)14(15)9(2)18-20/h7H,5-6,8H2,1-4H3,(H,16,21)
InChIKeyARIXVZOGGLSUHJ-UHFFFAOYSA-N
XLogP2.10
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]butanamide
CID 19290534
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 19526458
2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]acetamide
CID 19519711
1-[2-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19622343
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-butylacetamide
CID 19525673
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19489194
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]acetamide
CID 19520306
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-methylbutyl)acetamide
CID 55024544
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide
CID 19529503
4-chloro-1-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19477226
3-(4-bromopyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methylpropanamide
CID 19564640
4-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide
CID 19290546

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]acetamide (CID 19525481) is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]acetamide is CCn1ncc(CNC(=O)Cn2nc(C)c(Br)c2C)c1C.
What is the InChIKey of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]acetamide?
The InChIKey is ARIXVZOGGLSUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN5O/c1-5-19-10(3)12(7-17-19)6-16-13(21)8-20-11(4)14(15)9(2)18-20/h7H,5-6,8H2,1-4H3,(H,16,21).
What are the key properties of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]acetamide?
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]acetamide has a molecular weight of 354.25 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 19525481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).