N-(4-bromo-2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-carboxamide

C14H16BrN3O — CID 62721395

IUPACN-(4-bromo-2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1cc(Br)cc(C)c1NC(=O)c1cnn(C)c1C
InChIInChI=1S/C14H16BrN3O/c1-8-5-11(15)6-9(2)13(8)17-14(19)12-7-16-18(4)10(12)3/h5-7H,1-4H3,(H,17,19)
InChIKeyNCGVFZIJKMOCPH-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.36
Rot. Bonds2

About N-(4-bromo-2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-carboxamide

N-(4-bromo-2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 62721395) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-carboxamide
PubChem CID62721395
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1cc(Br)cc(C)c1NC(=O)c1cnn(C)c1C
InChIInChI=1S/C14H16BrN3O/c1-8-5-11(15)6-9(2)13(8)17-14(19)12-7-16-18(4)10(12)3/h5-7H,1-4H3,(H,17,19)
InChIKeyNCGVFZIJKMOCPH-UHFFFAOYSA-N
XLogP3.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-bromo-2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-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-2-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28780531
N-(2-bromo-6-chloro-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 107470577
N-(4-bromo-2-pyridinyl)-1,5-dimethylpyrazole-4-carboxamide
CID 102674177
3-bromo-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 63113008
N-(2-bromo-5-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 82706059
N-(5-amino-4-methyl-2-pyridinyl)-1,5-dimethylpyrazole-4-carboxamide
CID 61292593
1,5-dimethyl-N-phenylpyrazole-4-carboxamide
CID 13031735
5-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2,3-dimethylbenzoic acid
CID 63020357
5-amino-N-(4-bromo-2,6-dimethylphenyl)-2,4-dimethylbenzamide
CID 102704950
N-(2,5-dichlorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 110864104
N-(4-ethyl-1H-pyrazol-5-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 112697383
N-(1,5-dimethylpyrazol-4-yl)-2,4,5-trimethylbenzamide
CID 134707317

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-carboxamide (CID 62721395) is N-(4-bromo-2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-carboxamide is Cc1cc(Br)cc(C)c1NC(=O)c1cnn(C)c1C.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is NCGVFZIJKMOCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-8-5-11(15)6-9(2)13(8)17-14(19)12-7-16-18(4)10(12)3/h5-7H,1-4H3,(H,17,19).
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-carboxamide?
N-(4-bromo-2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 322.21 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 62721395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).