N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(4-bromo-3-methylpyrazol-1-yl)-N-methylpropanamide

C14H19Br2N5O — CID 19460376

IUPACN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(4-bromo-3-methylpyrazol-1-yl)-N-methylpropanamide
SMILESCCn1ncc(Br)c1CN(C)C(=O)C(C)n1cc(Br)c(C)n1
InChIInChI=1S/C14H19Br2N5O/c1-5-20-13(11(15)6-17-20)8-19(4)14(22)10(3)21-7-12(16)9(2)18-21/h6-7,10H,5,8H2,1-4H3
InChIKeyYFQYFDXSWQIGTL-UHFFFAOYSA-N
MW433.15 g/mol
LogP3.15
Rot. Bonds5

About N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(4-bromo-3-methylpyrazol-1-yl)-N-methylpropanamide

N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(4-bromo-3-methylpyrazol-1-yl)-N-methylpropanamide (PubChem CID 19460376) has the molecular formula C14H19Br2N5O and a molecular weight of 433.15 g/mol. Its IUPAC name is N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(4-bromo-3-methylpyrazol-1-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(4-bromo-3-methylpyrazol-1-yl)-N-methylpropanamide
PubChem CID19460376
Molecular FormulaC14H19Br2N5O
Molecular Weight433.15 g/mol
Exact Mass431.00
IUPAC NameN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(4-bromo-3-methylpyrazol-1-yl)-N-methylpropanamide
SMILESCCn1ncc(Br)c1CN(C)C(=O)C(C)n1cc(Br)c(C)n1
InChIInChI=1S/C14H19Br2N5O/c1-5-20-13(11(15)6-17-20)8-19(4)14(22)10(3)21-7-12(16)9(2)18-21/h6-7,10H,5,8H2,1-4H3
InChIKeyYFQYFDXSWQIGTL-UHFFFAOYSA-N
XLogP3.15
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.15
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromo-3-methylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpropanamide
CID 19536019
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19460439
2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]propanamide
CID 19533467
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-chloro-N,1,3-trimethylpyrazole-5-carboxamide
CID 19507729
ethyl 3-[(4-bromo-1-ethylpyrazol-5-yl)methyl-methylcarbamoyl]-1-methylpyrazole-5-carboxylate
CID 19278166
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-ethyl-N-methylbenzamide
CID 19460410
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,2,4-trimethylbenzamide
CID 19460411
2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]propanamide
CID 19322853
2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]propanamide
CID 19533530
(E)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(1-ethylpyrazol-4-yl)-N-methylprop-2-enamide
CID 19460459
4,5-dibromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 19515419
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-2-(5-methyl-4-nitropyrazol-1-yl)acetamide
CID 19460342

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(4-bromo-3-methylpyrazol-1-yl)-N-methylpropanamide?
The IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(4-bromo-3-methylpyrazol-1-yl)-N-methylpropanamide (CID 19460376) is N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(4-bromo-3-methylpyrazol-1-yl)-N-methylpropanamide.
What is the SMILES notation for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(4-bromo-3-methylpyrazol-1-yl)-N-methylpropanamide?
The canonical SMILES for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(4-bromo-3-methylpyrazol-1-yl)-N-methylpropanamide is CCn1ncc(Br)c1CN(C)C(=O)C(C)n1cc(Br)c(C)n1.
What is the InChIKey of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(4-bromo-3-methylpyrazol-1-yl)-N-methylpropanamide?
The InChIKey is YFQYFDXSWQIGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2N5O/c1-5-20-13(11(15)6-17-20)8-19(4)14(22)10(3)21-7-12(16)9(2)18-21/h6-7,10H,5,8H2,1-4H3.
What are the key properties of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(4-bromo-3-methylpyrazol-1-yl)-N-methylpropanamide?
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(4-bromo-3-methylpyrazol-1-yl)-N-methylpropanamide has a molecular weight of 433.15 g/mol, XLogP of 3.15, 5 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-5-yl)methyl]-2-(4-bromo-3-methylpyrazol-1-yl)-N-methylpropanamide is sourced from PubChem (CID 19460376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).