N-(3-bromo-4-methylphenyl)-1,3-diethylpyrazole-5-carboxamide

C15H18BrN3O — CID 66120808

IUPACN-(3-bromo-4-methylphenyl)-1,3-diethylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc(C)c(Br)c2)n(CC)n1
InChIInChI=1S/C15H18BrN3O/c1-4-11-9-14(19(5-2)18-11)15(20)17-12-7-6-10(3)13(16)8-12/h6-9H,4-5H2,1-3H3,(H,17,20)
InChIKeySEJMIFXZBPCDCS-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.79
Rot. Bonds4

About N-(3-bromo-4-methylphenyl)-1,3-diethylpyrazole-5-carboxamide

N-(3-bromo-4-methylphenyl)-1,3-diethylpyrazole-5-carboxamide (PubChem CID 66120808) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-1,3-diethylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-1,3-diethylpyrazole-5-carboxamide
PubChem CID66120808
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC NameN-(3-bromo-4-methylphenyl)-1,3-diethylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc(C)c(Br)c2)n(CC)n1
InChIInChI=1S/C15H18BrN3O/c1-4-11-9-14(19(5-2)18-11)15(20)17-12-7-6-10(3)13(16)8-12/h6-9H,4-5H2,1-3H3,(H,17,20)
InChIKeySEJMIFXZBPCDCS-UHFFFAOYSA-N
XLogP3.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-bromo-4-methylphenyl)-1,3-diethylpyrazole-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

N-[4-(aminomethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide
CID 66120978
N-(4-bromo-3-chlorophenyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 113278409
N-(3-bromo-2-pyridinyl)-1,3-diethylpyrazole-5-carboxamide
CID 66121397
N-[3-(1-aminoethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide
CID 66121775
N-(2-amino-4,6-dibromophenyl)-1,3-diethylpyrazole-5-carboxamide
CID 66122727
1,3-diethyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide
CID 66120821
N-(2-aminoethyl)-1,3-diethylpyrazole-5-carboxamide
CID 66121952
4-bromo-N-(3,4-dimethylphenyl)-1-ethylpyrazole-5-carboxamide
CID 892389
2-[(1,3-diethylpyrazole-5-carbonyl)amino]benzoic acid
CID 66121377
N'-(3-bromo-4-methylphenyl)-N-(4-ethylphenyl)oxamide
CID 108986891
3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558
N-(4-bromobutan-2-yl)-1,3-diethylpyrazole-5-carboxamide
CID 83180018

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-1,3-diethylpyrazole-5-carboxamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-1,3-diethylpyrazole-5-carboxamide (CID 66120808) is N-(3-bromo-4-methylphenyl)-1,3-diethylpyrazole-5-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-1,3-diethylpyrazole-5-carboxamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-1,3-diethylpyrazole-5-carboxamide is CCc1cc(C(=O)Nc2ccc(C)c(Br)c2)n(CC)n1.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-1,3-diethylpyrazole-5-carboxamide?
The InChIKey is SEJMIFXZBPCDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-4-11-9-14(19(5-2)18-11)15(20)17-12-7-6-10(3)13(16)8-12/h6-9H,4-5H2,1-3H3,(H,17,20).
What are the key properties of N-(3-bromo-4-methylphenyl)-1,3-diethylpyrazole-5-carboxamide?
N-(3-bromo-4-methylphenyl)-1,3-diethylpyrazole-5-carboxamide has a molecular weight of 336.23 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-1,3-diethylpyrazole-5-carboxamide is sourced from PubChem (CID 66120808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).