4,5-dibromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide

C11H12Br3N5O — CID 19515419

IUPAC4,5-dibromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
SMILESCCn1ncc(Br)c1CN(C)C(=O)c1n[nH]c(Br)c1Br
InChIInChI=1S/C11H12Br3N5O/c1-3-19-7(6(12)4-15-19)5-18(2)11(20)9-8(13)10(14)17-16-9/h4H,3,5H2,1-2H3,(H,16,17)
InChIKeyUDLHNZMDDDLBQB-UHFFFAOYSA-N
MW469.96 g/mol
LogP3.19
Rot. Bonds4

About 4,5-dibromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide

4,5-dibromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide (PubChem CID 19515419) has the molecular formula C11H12Br3N5O and a molecular weight of 469.96 g/mol. Its IUPAC name is 4,5-dibromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
PubChem CID19515419
Molecular FormulaC11H12Br3N5O
Molecular Weight469.96 g/mol
Exact Mass466.86
IUPAC Name4,5-dibromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
SMILESCCn1ncc(Br)c1CN(C)C(=O)c1n[nH]c(Br)c1Br
InChIInChI=1S/C11H12Br3N5O/c1-3-19-7(6(12)4-15-19)5-18(2)11(20)9-8(13)10(14)17-16-9/h4H,3,5H2,1-2H3,(H,16,17)
InChIKeyUDLHNZMDDDLBQB-UHFFFAOYSA-N
XLogP3.19
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.96
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,5-dibromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-ethyl-N-methylbenzamide
CID 19460410
4-bromo-N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-methyl-5-nitro-1H-pyrazole-3-carboxamide
CID 135748040
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,2,4-trimethylbenzamide
CID 19460411
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 19460413
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-chloro-N,1,3-trimethylpyrazole-5-carboxamide
CID 19507729
4,5-dibromo-N-(1-ethyl-5-methylpyrazol-4-yl)-1H-pyrazole-3-carboxamide
CID 19508603
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19278198
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,5-dimethyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide
CID 19488120
(E)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(1-ethylpyrazol-4-yl)-N-methylprop-2-enamide
CID 19460459
ethyl 3-[(4-bromo-1-ethylpyrazol-5-yl)methyl-methylcarbamoyl]-1-methylpyrazole-5-carboxylate
CID 19278166
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,2-dimethyl-3-nitrobenzamide
CID 19458650
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-[(4-chlorophenoxy)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 19443817

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4,5-dibromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide (CID 19515419) is 4,5-dibromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide is CCn1ncc(Br)c1CN(C)C(=O)c1n[nH]c(Br)c1Br.
What is the InChIKey of 4,5-dibromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is UDLHNZMDDDLBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br3N5O/c1-3-19-7(6(12)4-15-19)5-18(2)11(20)9-8(13)10(14)17-16-9/h4H,3,5H2,1-2H3,(H,16,17).
What are the key properties of 4,5-dibromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide?
4,5-dibromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 469.96 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19515419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).