4-amino-N-(2-bromo-5-chlorophenyl)-1-ethylpyrazole-5-carboxamide

C12H12BrClN4O — CID 81262492

IUPAC4-amino-N-(2-bromo-5-chlorophenyl)-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C12H12BrClN4O/c1-2-18-11(9(15)6-16-18)12(19)17-10-5-7(14)3-4-8(10)13/h3-6H,2,15H2,1H3,(H,17,19)
InChIKeyDXHZHQGQIGAFPA-UHFFFAOYSA-N
MW343.61 g/mol
LogP3.15
Rot. Bonds3

About 4-amino-N-(2-bromo-5-chlorophenyl)-1-ethylpyrazole-5-carboxamide

4-amino-N-(2-bromo-5-chlorophenyl)-1-ethylpyrazole-5-carboxamide (PubChem CID 81262492) has the molecular formula C12H12BrClN4O and a molecular weight of 343.61 g/mol. Its IUPAC name is 4-amino-N-(2-bromo-5-chlorophenyl)-1-ethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-bromo-5-chlorophenyl)-1-ethylpyrazole-5-carboxamide
PubChem CID81262492
Molecular FormulaC12H12BrClN4O
Molecular Weight343.61 g/mol
Exact Mass341.99
IUPAC Name4-amino-N-(2-bromo-5-chlorophenyl)-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C12H12BrClN4O/c1-2-18-11(9(15)6-16-18)12(19)17-10-5-7(14)3-4-8(10)13/h3-6H,2,15H2,1H3,(H,17,19)
InChIKeyDXHZHQGQIGAFPA-UHFFFAOYSA-N
XLogP3.15
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.61
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(4-bromo-3-chlorophenyl)-1-ethylpyrazole-5-carboxamide
CID 107618381
4-amino-N-(4-chlorophenyl)-1-ethylpyrazole-5-carboxamide
CID 65357708
4-amino-N-(2-chloro-4-fluorophenyl)-1-ethylpyrazole-5-carboxamide
CID 65357625
4-amino-N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-5-carboxamide
CID 65357288
4-amino-1-ethyl-N-pyridin-4-ylpyrazole-5-carboxamide
CID 65357225
4-amino-N-(5-chloro-2-methylphenyl)-1-methylpyrazole-5-carboxamide
CID 65356207
4-amino-N-[(2-bromo-5-fluorophenyl)methyl]-1-ethylpyrazole-5-carboxamide
CID 65358559
4-amino-N-(2,6-diethylphenyl)-1-ethylpyrazole-5-carboxamide
CID 65357426
4-amino-N-(2-bromo-5-chlorophenyl)-3-methylbenzamide
CID 81262936
N-(4-acetylphenyl)-4-amino-1-ethylpyrazole-5-carboxamide
CID 65357059
2-amino-N-(2-bromo-5-chlorophenyl)benzamide
CID 81263172
methyl 3-[(4-amino-1-ethylpyrazole-5-carbonyl)amino]thiophene-2-carboxylate
CID 65357576

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-bromo-5-chlorophenyl)-1-ethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-bromo-5-chlorophenyl)-1-ethylpyrazole-5-carboxamide (CID 81262492) is 4-amino-N-(2-bromo-5-chlorophenyl)-1-ethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-bromo-5-chlorophenyl)-1-ethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-bromo-5-chlorophenyl)-1-ethylpyrazole-5-carboxamide is CCn1ncc(N)c1C(=O)Nc1cc(Cl)ccc1Br.
What is the InChIKey of 4-amino-N-(2-bromo-5-chlorophenyl)-1-ethylpyrazole-5-carboxamide?
The InChIKey is DXHZHQGQIGAFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN4O/c1-2-18-11(9(15)6-16-18)12(19)17-10-5-7(14)3-4-8(10)13/h3-6H,2,15H2,1H3,(H,17,19).
What are the key properties of 4-amino-N-(2-bromo-5-chlorophenyl)-1-ethylpyrazole-5-carboxamide?
4-amino-N-(2-bromo-5-chlorophenyl)-1-ethylpyrazole-5-carboxamide has a molecular weight of 343.61 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-bromo-5-chlorophenyl)-1-ethylpyrazole-5-carboxamide is sourced from PubChem (CID 81262492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).