N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,2-dimethylpropanamide

C16H23BrClN5O — CID 19540196

IUPACN-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,2-dimethylpropanamide
SMILESCCn1cc(Br)c(CN(C)C(=O)C(C)Cn2nc(C)c(Cl)c2C)n1
InChIInChI=1S/C16H23BrClN5O/c1-6-22-8-13(17)14(20-22)9-21(5)16(24)10(2)7-23-12(4)15(18)11(3)19-23/h8,10H,6-7,9H2,1-5H3
InChIKeyAYFGEGLXMQFIDO-UHFFFAOYSA-N
MW416.75 g/mol
LogP3.43
Rot. Bonds6

About N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,2-dimethylpropanamide

N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,2-dimethylpropanamide (PubChem CID 19540196) has the molecular formula C16H23BrClN5O and a molecular weight of 416.75 g/mol. Its IUPAC name is N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,2-dimethylpropanamide
PubChem CID19540196
Molecular FormulaC16H23BrClN5O
Molecular Weight416.75 g/mol
Exact Mass415.08
IUPAC NameN-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,2-dimethylpropanamide
SMILESCCn1cc(Br)c(CN(C)C(=O)C(C)Cn2nc(C)c(Cl)c2C)n1
InChIInChI=1S/C16H23BrClN5O/c1-6-22-8-13(17)14(20-22)9-21(5)16(24)10(2)7-23-12(4)15(18)11(3)19-23/h8,10H,6-7,9H2,1-5H3
InChIKeyAYFGEGLXMQFIDO-UHFFFAOYSA-N
XLogP3.43
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.75
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methylpropanamide
CID 19536054
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N,2-dimethyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19540190
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpropanamide
CID 19540193
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylpropanamide
CID 19460700
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,2-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 19540198
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methylpropanamide
CID 19536059
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide
CID 19333233
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(4-chloro-3-methylpyrazol-1-yl)-N-methylpropanamide
CID 19558391
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methyl-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19536072
4-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethylpyrazole-3-carboxamide
CID 19568619
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 19278009
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 171667399

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,2-dimethylpropanamide?
The IUPAC name of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,2-dimethylpropanamide (CID 19540196) is N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,2-dimethylpropanamide.
What is the SMILES notation for N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,2-dimethylpropanamide?
The canonical SMILES for N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,2-dimethylpropanamide is CCn1cc(Br)c(CN(C)C(=O)C(C)Cn2nc(C)c(Cl)c2C)n1.
What is the InChIKey of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,2-dimethylpropanamide?
The InChIKey is AYFGEGLXMQFIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrClN5O/c1-6-22-8-13(17)14(20-22)9-21(5)16(24)10(2)7-23-12(4)15(18)11(3)19-23/h8,10H,6-7,9H2,1-5H3.
What are the key properties of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,2-dimethylpropanamide?
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,2-dimethylpropanamide has a molecular weight of 416.75 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,2-dimethylpropanamide is sourced from PubChem (CID 19540196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).