N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-2-(4-bromopyrazol-1-yl)-N,2-dimethylpropanamide

C13H17Br2N5O — CID 19458573

IUPACN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-2-(4-bromopyrazol-1-yl)-N,2-dimethylpropanamide
SMILESCN(Cc1c(Br)cnn1C)C(=O)C(C)(C)n1cc(Br)cn1
InChIInChI=1S/C13H17Br2N5O/c1-13(2,20-7-9(14)5-17-20)12(21)18(3)8-11-10(15)6-16-19(11)4/h5-7H,8H2,1-4H3
InChIKeyGWBNRAPEEWFPLL-UHFFFAOYSA-N
MW419.12 g/mol
LogP2.54
Rot. Bonds4

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

N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-2-(4-bromopyrazol-1-yl)-N,2-dimethylpropanamide (PubChem CID 19458573) has the molecular formula C13H17Br2N5O and a molecular weight of 419.12 g/mol. Its IUPAC name is N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-2-(4-bromopyrazol-1-yl)-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-2-(4-bromopyrazol-1-yl)-N,2-dimethylpropanamide
PubChem CID19458573
Molecular FormulaC13H17Br2N5O
Molecular Weight419.12 g/mol
Exact Mass416.98
IUPAC NameN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-2-(4-bromopyrazol-1-yl)-N,2-dimethylpropanamide
SMILESCN(Cc1c(Br)cnn1C)C(=O)C(C)(C)n1cc(Br)cn1
InChIInChI=1S/C13H17Br2N5O/c1-13(2,20-7-9(14)5-17-20)12(21)18(3)8-11-10(15)6-16-19(11)4/h5-7H,8H2,1-4H3
InChIKeyGWBNRAPEEWFPLL-UHFFFAOYSA-N
XLogP2.54
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.12
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-2-(4-bromopyrazol-1-yl)-N,2-dimethylpropanamide?
The IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-2-(4-bromopyrazol-1-yl)-N,2-dimethylpropanamide (CID 19458573) is N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-2-(4-bromopyrazol-1-yl)-N,2-dimethylpropanamide.
What is the SMILES notation for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-2-(4-bromopyrazol-1-yl)-N,2-dimethylpropanamide?
The canonical SMILES for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-2-(4-bromopyrazol-1-yl)-N,2-dimethylpropanamide is CN(Cc1c(Br)cnn1C)C(=O)C(C)(C)n1cc(Br)cn1.
What is the InChIKey of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-2-(4-bromopyrazol-1-yl)-N,2-dimethylpropanamide?
The InChIKey is GWBNRAPEEWFPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2N5O/c1-13(2,20-7-9(14)5-17-20)12(21)18(3)8-11-10(15)6-16-19(11)4/h5-7H,8H2,1-4H3.
What are the key properties of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-2-(4-bromopyrazol-1-yl)-N,2-dimethylpropanamide?
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-2-(4-bromopyrazol-1-yl)-N,2-dimethylpropanamide has a molecular weight of 419.12 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-2-(4-bromopyrazol-1-yl)-N,2-dimethylpropanamide is sourced from PubChem (CID 19458573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).