N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(difluoromethoxy)benzamide

C13H12BrF2N3O2 — CID 19296446

IUPACN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(difluoromethoxy)benzamide
SMILESCn1ncc(Br)c1CNC(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C13H12BrF2N3O2/c1-19-11(10(14)6-18-19)7-17-12(20)8-3-2-4-9(5-8)21-13(15)16/h2-6,13H,7H2,1H3,(H,17,20)
InChIKeyJMLZERLJLLLRHL-UHFFFAOYSA-N
MW360.16 g/mol
LogP2.71
Rot. Bonds5

About N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(difluoromethoxy)benzamide

N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(difluoromethoxy)benzamide (PubChem CID 19296446) has the molecular formula C13H12BrF2N3O2 and a molecular weight of 360.16 g/mol. Its IUPAC name is N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(difluoromethoxy)benzamide
PubChem CID19296446
Molecular FormulaC13H12BrF2N3O2
Molecular Weight360.16 g/mol
Exact Mass359.01
IUPAC NameN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(difluoromethoxy)benzamide
SMILESCn1ncc(Br)c1CNC(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C13H12BrF2N3O2/c1-19-11(10(14)6-18-19)7-17-12(20)8-3-2-4-9(5-8)21-13(15)16/h2-6,13H,7H2,1H3,(H,17,20)
InChIKeyJMLZERLJLLLRHL-UHFFFAOYSA-N
XLogP2.71
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.16
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3,5-dimethoxybenzamide
CID 19296461
methyl 4-[(4-bromo-1-methylpyrazol-5-yl)methylcarbamoyl]benzoate
CID 19296541
(4-bromo-1-propylpyrazol-5-yl)-[3-(difluoromethoxy)phenyl]methanone
CID 115804609
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-bromo-1-methylpyrazol-5-yl)methyl]benzamide
CID 19296466
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19323105
3-(difluoromethoxy)-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736173
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 19294800
4-[[3-(difluoromethoxy)benzoyl]amino]-1-methylpyrazole-5-carboxamide
CID 19412265
N-[(4-chlorophenyl)methyl]-3-(difluoromethoxy)benzamide
CID 2092118
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(difluoromethoxy)benzamide
CID 118775393
3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)benzamide
CID 60653229
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(4-methoxyphenoxy)methyl]benzamide
CID 19296435

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(difluoromethoxy)benzamide?
The IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(difluoromethoxy)benzamide (CID 19296446) is N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(difluoromethoxy)benzamide?
The canonical SMILES for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(difluoromethoxy)benzamide is Cn1ncc(Br)c1CNC(=O)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(difluoromethoxy)benzamide?
The InChIKey is JMLZERLJLLLRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF2N3O2/c1-19-11(10(14)6-18-19)7-17-12(20)8-3-2-4-9(5-8)21-13(15)16/h2-6,13H,7H2,1H3,(H,17,20).
What are the key properties of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(difluoromethoxy)benzamide?
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(difluoromethoxy)benzamide has a molecular weight of 360.16 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(difluoromethoxy)benzamide is sourced from PubChem (CID 19296446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).