4-bromo-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-3-carboxamide

C13H12BrF2N3O3 — CID 19262883

IUPAC4-bromo-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-3-carboxamide
SMILESCOc1cc(NC(=O)c2nn(C)cc2Br)ccc1OC(F)F
InChIInChI=1S/C13H12BrF2N3O3/c1-19-6-8(14)11(18-19)12(20)17-7-3-4-9(22-13(15)16)10(5-7)21-2/h3-6,13H,1-2H3,(H,17,20)
InChIKeyORSZXQSLAJNACW-UHFFFAOYSA-N
MW376.16 g/mol
LogP3.04
Rot. Bonds5

About 4-bromo-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-3-carboxamide

4-bromo-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-3-carboxamide (PubChem CID 19262883) has the molecular formula C13H12BrF2N3O3 and a molecular weight of 376.16 g/mol. Its IUPAC name is 4-bromo-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-3-carboxamide
PubChem CID19262883
Molecular FormulaC13H12BrF2N3O3
Molecular Weight376.16 g/mol
Exact Mass375.00
IUPAC Name4-bromo-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-3-carboxamide
SMILESCOc1cc(NC(=O)c2nn(C)cc2Br)ccc1OC(F)F
InChIInChI=1S/C13H12BrF2N3O3/c1-19-6-8(14)11(18-19)12(20)17-7-3-4-9(22-13(15)16)10(5-7)21-2/h3-6,13H,1-2H3,(H,17,20)
InChIKeyORSZXQSLAJNACW-UHFFFAOYSA-N
XLogP3.04
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.16
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-bromo-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-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

4-bromo-N-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 835667
N-[4-(difluoromethoxy)-3-methoxyphenyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide
CID 19266603
4-bromo-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-methylpyrazole-3-carboxamide
CID 56847293
1-[(4-bromopyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]pyrazole-3-carboxamide
CID 19271867
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide
CID 19561563
N-[4-(difluoromethoxy)-3-methoxyphenyl]-4-methylbenzamide
CID 4865288
4-chloro-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-5-carboxamide
CID 19475965
2-(4-bromopyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]acetamide
CID 19524724
4-bromo-N-(3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 903278
1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]pyrazole-3-carboxamide
CID 19264387
N-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-iodo-3-methylpyrazol-1-yl)propanamide
CID 19550050
N-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285321

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-3-carboxamide (CID 19262883) is 4-bromo-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-3-carboxamide is COc1cc(NC(=O)c2nn(C)cc2Br)ccc1OC(F)F.
What is the InChIKey of 4-bromo-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is ORSZXQSLAJNACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF2N3O3/c1-19-6-8(14)11(18-19)12(20)17-7-3-4-9(22-13(15)16)10(5-7)21-2/h3-6,13H,1-2H3,(H,17,20).
What are the key properties of 4-bromo-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-3-carboxamide?
4-bromo-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 376.16 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19262883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).