4-bromo-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-1,5-dimethylpyrazole-3-carboxamide

C13H17Br2N5O — CID 19266293

IUPAC4-bromo-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1nn(CCCNC(=O)c2nn(C)c(C)c2Br)cc1Br
InChIInChI=1S/C13H17Br2N5O/c1-8-10(14)7-20(17-8)6-4-5-16-13(21)12-11(15)9(2)19(3)18-12/h7H,4-6H2,1-3H3,(H,16,21)
InChIKeyWFZZQYRXQNBEQB-UHFFFAOYSA-N
MW419.12 g/mol
LogP2.58
Rot. Bonds5

About 4-bromo-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-1,5-dimethylpyrazole-3-carboxamide

4-bromo-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 19266293) has the molecular formula C13H17Br2N5O and a molecular weight of 419.12 g/mol. Its IUPAC name is 4-bromo-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID19266293
Molecular FormulaC13H17Br2N5O
Molecular Weight419.12 g/mol
Exact Mass416.98
IUPAC Name4-bromo-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1nn(CCCNC(=O)c2nn(C)c(C)c2Br)cc1Br
InChIInChI=1S/C13H17Br2N5O/c1-8-10(14)7-20(17-8)6-4-5-16-13(21)12-11(15)9(2)19(3)18-12/h7H,4-6H2,1-3H3,(H,16,21)
InChIKeyWFZZQYRXQNBEQB-UHFFFAOYSA-N
XLogP2.58
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.12
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-1-methylpyrazole-5-carboxamide
CID 19475156
4-[3-(4-bromo-3-methylpyrazol-1-yl)propylcarbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19500308
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-ethylbutanamide
CID 19329804
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-chloroacetamide
CID 19329976
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-methylbenzamide
CID 19329993
4-bromo-1,5-dimethyl-N-octadecylpyrazole-3-carboxamide
CID 19266131
4-bromo-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19266245
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3,5-dinitrobenzamide
CID 19329823
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide
CID 19329942
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-iodobenzamide
CID 19328234
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-ethylpyrazole-3-carboxamide
CID 19475447
4-bromo-1,5-dimethyl-N-(2-sulfanylethyl)pyrazole-3-carboxamide
CID 19266193

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-1,5-dimethylpyrazole-3-carboxamide (CID 19266293) is 4-bromo-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-1,5-dimethylpyrazole-3-carboxamide is Cc1nn(CCCNC(=O)c2nn(C)c(C)c2Br)cc1Br.
What is the InChIKey of 4-bromo-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is WFZZQYRXQNBEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2N5O/c1-8-10(14)7-20(17-8)6-4-5-16-13(21)12-11(15)9(2)19(3)18-12/h7H,4-6H2,1-3H3,(H,16,21).
What are the key properties of 4-bromo-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-1,5-dimethylpyrazole-3-carboxamide?
4-bromo-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 419.12 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 19266293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).