4-amino-N-(4-bromo-2-chlorophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide

C13H14BrClN4O — CID 66123476

IUPAC4-amino-N-(4-bromo-2-chlorophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C13H14BrClN4O/c1-3-19-12(11(16)7(2)18-19)13(20)17-10-5-4-8(14)6-9(10)15/h4-6H,3,16H2,1-2H3,(H,17,20)
InChIKeyKTTJLDXGAMPUMC-UHFFFAOYSA-N
MW357.64 g/mol
LogP3.46
Rot. Bonds3

About 4-amino-N-(4-bromo-2-chlorophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide

4-amino-N-(4-bromo-2-chlorophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide (PubChem CID 66123476) has the molecular formula C13H14BrClN4O and a molecular weight of 357.64 g/mol. Its IUPAC name is 4-amino-N-(4-bromo-2-chlorophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-bromo-2-chlorophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide
PubChem CID66123476
Molecular FormulaC13H14BrClN4O
Molecular Weight357.64 g/mol
Exact Mass356.00
IUPAC Name4-amino-N-(4-bromo-2-chlorophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C13H14BrClN4O/c1-3-19-12(11(16)7(2)18-19)13(20)17-10-5-4-8(14)6-9(10)15/h4-6H,3,16H2,1-2H3,(H,17,20)
InChIKeyKTTJLDXGAMPUMC-UHFFFAOYSA-N
XLogP3.46
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.64
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-chlorophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide
CID 66123274
4-amino-N-(2-bromophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide
CID 66123080
4-amino-1-ethyl-3-methyl-N-(4-methyl-3-pyridinyl)pyrazole-5-carboxamide
CID 66123324
4-amino-1-ethyl-3-methyl-N-(3-methyl-4-pyridinyl)pyrazole-5-carboxamide
CID 66124484
4-amino-N-(2,3-difluorophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide
CID 66124065
4-amino-N-(3-bromo-5-methoxyphenyl)-1-ethyl-3-methylpyrazole-5-carboxamide
CID 82859171
4-amino-1-ethyl-N-(2-ethylsulfanylphenyl)-3-methylpyrazole-5-carboxamide
CID 66124650
N-(4-bromo-2-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide
CID 7924369
2-amino-N-(4-bromo-2-chlorophenyl)-3-methylbenzamide
CID 43347143
4-amino-1-ethyl-N-(4-methoxy-3-methylphenyl)-3-methylpyrazole-5-carboxamide
CID 66123117
(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2-chlorophenyl)methanone
CID 154148009
5-amino-N-(4-bromo-2-chlorophenyl)-2,4-dimethylbenzamide
CID 102704991

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-bromo-2-chlorophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(4-bromo-2-chlorophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide (CID 66123476) is 4-amino-N-(4-bromo-2-chlorophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(4-bromo-2-chlorophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(4-bromo-2-chlorophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide is CCn1nc(C)c(N)c1C(=O)Nc1ccc(Br)cc1Cl.
What is the InChIKey of 4-amino-N-(4-bromo-2-chlorophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide?
The InChIKey is KTTJLDXGAMPUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN4O/c1-3-19-12(11(16)7(2)18-19)13(20)17-10-5-4-8(14)6-9(10)15/h4-6H,3,16H2,1-2H3,(H,17,20).
What are the key properties of 4-amino-N-(4-bromo-2-chlorophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide?
4-amino-N-(4-bromo-2-chlorophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide has a molecular weight of 357.64 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-bromo-2-chlorophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66123476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).