N-(4-bromo-2-fluorophenyl)-4-chloro-1-methylpyrazole-5-carboxamide

C11H8BrClFN3O — CID 19475805

IUPACN-(4-bromo-2-fluorophenyl)-4-chloro-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C11H8BrClFN3O/c1-17-10(7(13)5-15-17)11(18)16-9-3-2-6(12)4-8(9)14/h2-5H,1H3,(H,16,18)
InChIKeyCUYDOQIZZABOSJ-UHFFFAOYSA-N
MW332.56 g/mol
LogP3.23
Rot. Bonds2

About N-(4-bromo-2-fluorophenyl)-4-chloro-1-methylpyrazole-5-carboxamide

N-(4-bromo-2-fluorophenyl)-4-chloro-1-methylpyrazole-5-carboxamide (PubChem CID 19475805) has the molecular formula C11H8BrClFN3O and a molecular weight of 332.56 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-4-chloro-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-4-chloro-1-methylpyrazole-5-carboxamide
PubChem CID19475805
Molecular FormulaC11H8BrClFN3O
Molecular Weight332.56 g/mol
Exact Mass330.95
IUPAC NameN-(4-bromo-2-fluorophenyl)-4-chloro-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C11H8BrClFN3O/c1-17-10(7(13)5-15-17)11(18)16-9-3-2-6(12)4-8(9)14/h2-5H,1H3,(H,16,18)
InChIKeyCUYDOQIZZABOSJ-UHFFFAOYSA-N
XLogP3.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.56
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(2,4-difluorophenyl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 891679
N-(2-bromophenyl)-N'-[(4-chloro-1-ethyl-1H-pyrazol-5-yl)carbonyl]thiourea
CID 1226311
4-bromo-2-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 790519
4-chloro-1-ethyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 1511737
4-bromo-N-(3-chloro-4-fluorophenyl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 755380
N-(3-chlorophenyl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 891989
4-bromo-N-(2,4-difluorophenyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 892592
4-chloro-N-(3-chlorophenyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 903329
N-(2,4-dibromophenyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 1009261
4-bromo-N-(4-bromo-2-fluorophenyl)-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 1014486
4-bromo-1-ethyl-N-(2-fluoro-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 3239332
4-chloro-N-(2,5-dichlorophenyl)-2-ethyl-3-pyrazolecarboxamide
CID 891805

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-4-chloro-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-4-chloro-1-methylpyrazole-5-carboxamide (CID 19475805) is N-(4-bromo-2-fluorophenyl)-4-chloro-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-4-chloro-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-4-chloro-1-methylpyrazole-5-carboxamide is Cn1ncc(Cl)c1C(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-4-chloro-1-methylpyrazole-5-carboxamide?
The InChIKey is CUYDOQIZZABOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClFN3O/c1-17-10(7(13)5-15-17)11(18)16-9-3-2-6(12)4-8(9)14/h2-5H,1H3,(H,16,18).
What are the key properties of N-(4-bromo-2-fluorophenyl)-4-chloro-1-methylpyrazole-5-carboxamide?
N-(4-bromo-2-fluorophenyl)-4-chloro-1-methylpyrazole-5-carboxamide has a molecular weight of 332.56 g/mol, XLogP of 3.23, 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-fluorophenyl)-4-chloro-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 19475805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).