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

C12H15Br2N5O — CID 19475156

IUPAC4-bromo-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-1-methylpyrazole-5-carboxamide
SMILESCc1nn(CCCNC(=O)c2c(Br)cnn2C)cc1Br
InChIInChI=1S/C12H15Br2N5O/c1-8-10(14)7-19(17-8)5-3-4-15-12(20)11-9(13)6-16-18(11)2/h6-7H,3-5H2,1-2H3,(H,15,20)
InChIKeyFXZPIWCNQZZLAE-UHFFFAOYSA-N
MW405.09 g/mol
LogP2.27
Rot. Bonds5

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

4-bromo-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-1-methylpyrazole-5-carboxamide (PubChem CID 19475156) has the molecular formula C12H15Br2N5O and a molecular weight of 405.09 g/mol. Its IUPAC name is 4-bromo-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-1-methylpyrazole-5-carboxamide
PubChem CID19475156
Molecular FormulaC12H15Br2N5O
Molecular Weight405.09 g/mol
Exact Mass402.96
IUPAC Name4-bromo-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-1-methylpyrazole-5-carboxamide
SMILESCc1nn(CCCNC(=O)c2c(Br)cnn2C)cc1Br
InChIInChI=1S/C12H15Br2N5O/c1-8-10(14)7-19(17-8)5-3-4-15-12(20)11-9(13)6-16-18(11)2/h6-7H,3-5H2,1-2H3,(H,15,20)
InChIKeyFXZPIWCNQZZLAE-UHFFFAOYSA-N
XLogP2.27
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.09
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-bromo-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-1-methylpyrazole-5-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

4-bromo-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19266293
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-ethylpyrazole-3-carboxamide
CID 19475447
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-methylbenzamide
CID 19329993
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]-2,4-dimethylbenzamide
CID 19329942
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3,5-dinitrobenzamide
CID 19329823
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-iodobenzamide
CID 19328234
2-[5-[3-(4-bromo-3-methylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19482587
4-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-5-carboxamide
CID 19475026
4-bromo-N-[3-(4-chloropyrazol-1-yl)propyl]-1,3-dimethylpyrazole-5-carboxamide
CID 19480524

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-1-methylpyrazole-5-carboxamide (CID 19475156) is 4-bromo-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-1-methylpyrazole-5-carboxamide is Cc1nn(CCCNC(=O)c2c(Br)cnn2C)cc1Br.
What is the InChIKey of 4-bromo-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is FXZPIWCNQZZLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2N5O/c1-8-10(14)7-19(17-8)5-3-4-15-12(20)11-9(13)6-16-18(11)2/h6-7H,3-5H2,1-2H3,(H,15,20).
What are the key properties of 4-bromo-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-1-methylpyrazole-5-carboxamide?
4-bromo-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 405.09 g/mol, XLogP of 2.27, 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-methylpyrazole-5-carboxamide is sourced from PubChem (CID 19475156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).