4-bromo-N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-3-carboxamide

C12H10BrClFN3O — CID 755380

IUPAC4-bromo-N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(Br)c(C(=O)Nc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C12H10BrClFN3O/c1-2-18-6-8(13)11(17-18)12(19)16-7-3-4-10(15)9(14)5-7/h3-6H,2H2,1H3,(H,16,19)
InChIKeyIQRXJRNWSVIZOW-UHFFFAOYSA-N
MW346.59 g/mol
LogP3.71
Rot. Bonds3

About 4-bromo-N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-3-carboxamide

4-bromo-N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-3-carboxamide (PubChem CID 755380) has the molecular formula C12H10BrClFN3O and a molecular weight of 346.59 g/mol. Its IUPAC name is 4-bromo-N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-3-carboxamide
PubChem CID755380
Molecular FormulaC12H10BrClFN3O
Molecular Weight346.59 g/mol
Exact Mass344.97
IUPAC Name4-bromo-N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(Br)c(C(=O)Nc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C12H10BrClFN3O/c1-2-18-6-8(13)11(17-18)12(19)16-7-3-4-10(15)9(14)5-7/h3-6H,2H2,1H3,(H,16,19)
InChIKeyIQRXJRNWSVIZOW-UHFFFAOYSA-N
XLogP3.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.59
LogP ≤ 53.71
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
4-bromo-2-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 790519
N-(2,5-dichlorophenyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 840311
4-chloro-1-ethyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 1511737
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
N-(2,4-dichlorophenyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 892997
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
N-(3,4-dichlorophenyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 1224613
N-(2,5-dichlorophenyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 3235652
4-bromo-1-ethyl-N-(2-fluoro-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 3239332

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-3-carboxamide (CID 755380) is 4-bromo-N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-3-carboxamide is CCn1cc(Br)c(C(=O)Nc2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 4-bromo-N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-3-carboxamide?
The InChIKey is IQRXJRNWSVIZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClFN3O/c1-2-18-6-8(13)11(17-18)12(19)16-7-3-4-10(15)9(14)5-7/h3-6H,2H2,1H3,(H,16,19).
What are the key properties of 4-bromo-N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-3-carboxamide?
4-bromo-N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-3-carboxamide has a molecular weight of 346.59 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 755380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).