4-bromo-N-(2,5-dichlorophenyl)-1-ethylpyrazole-3-carboxamide

C12H10BrCl2N3O — CID 1210310

IUPAC4-bromo-N-(2,5-dichlorophenyl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(Br)c(C(=O)Nc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C12H10BrCl2N3O/c1-2-18-6-8(13)11(17-18)12(19)16-10-5-7(14)3-4-9(10)15/h3-6H,2H2,1H3,(H,16,19)
InChIKeyIHQDHRFNTYQKKO-UHFFFAOYSA-N
MW363.04 g/mol
LogP4.22
Rot. Bonds3

About 4-bromo-N-(2,5-dichlorophenyl)-1-ethylpyrazole-3-carboxamide

4-bromo-N-(2,5-dichlorophenyl)-1-ethylpyrazole-3-carboxamide (PubChem CID 1210310) has the molecular formula C12H10BrCl2N3O and a molecular weight of 363.04 g/mol. Its IUPAC name is 4-bromo-N-(2,5-dichlorophenyl)-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2,5-dichlorophenyl)-1-ethylpyrazole-3-carboxamide
PubChem CID1210310
Molecular FormulaC12H10BrCl2N3O
Molecular Weight363.04 g/mol
Exact Mass360.94
IUPAC Name4-bromo-N-(2,5-dichlorophenyl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(Br)c(C(=O)Nc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C12H10BrCl2N3O/c1-2-18-6-8(13)11(17-18)12(19)16-10-5-7(14)3-4-9(10)15/h3-6H,2H2,1H3,(H,16,19)
InChIKeyIHQDHRFNTYQKKO-UHFFFAOYSA-N
XLogP4.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.04
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19283969
4-amino-N-(5-bromo-2-chlorophenyl)-1-ethylpyrazole-3-carboxamide
CID 65358030
4-bromo-N-(2,6-dichlorophenyl)-1-ethylpyrazole-3-carboxamide
CID 19267283
4-bromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19284270
N-(2,5-dichlorophenyl)-1-ethylpyrazole-3-carboxamide
CID 841339
1-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(2,5-dichlorophenyl)thiourea
CID 19572007
4-bromo-N-(5-chloro-2-hydroxyphenyl)-1-methylpyrazole-3-carboxamide
CID 19262709
methyl 2-[(4-bromo-1-ethylpyrazole-3-carbonyl)amino]benzoate
CID 994072
4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-3-carboxamide
CID 19267428
dimethyl 5-[(4-bromo-1-ethylpyrazole-3-carbonyl)amino]benzene-1,3-dicarboxylate
CID 19267253
N-(2-benzoylphenyl)-4-bromo-1-ethylpyrazole-3-carboxamide
CID 35325026
5-bromo-N-(2,5-dichlorophenyl)-2-ethylsulfanylpyrimidine-4-carboxamide
CID 17014297

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,5-dichlorophenyl)-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-(2,5-dichlorophenyl)-1-ethylpyrazole-3-carboxamide (CID 1210310) is 4-bromo-N-(2,5-dichlorophenyl)-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-(2,5-dichlorophenyl)-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-(2,5-dichlorophenyl)-1-ethylpyrazole-3-carboxamide is CCn1cc(Br)c(C(=O)Nc2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 4-bromo-N-(2,5-dichlorophenyl)-1-ethylpyrazole-3-carboxamide?
The InChIKey is IHQDHRFNTYQKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrCl2N3O/c1-2-18-6-8(13)11(17-18)12(19)16-10-5-7(14)3-4-9(10)15/h3-6H,2H2,1H3,(H,16,19).
What are the key properties of 4-bromo-N-(2,5-dichlorophenyl)-1-ethylpyrazole-3-carboxamide?
4-bromo-N-(2,5-dichlorophenyl)-1-ethylpyrazole-3-carboxamide has a molecular weight of 363.04 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,5-dichlorophenyl)-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 1210310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).