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

C14H17BrN4O — CID 66124519

IUPAC4-amino-N-(2-bromo-4-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)Nc2ccc(C)cc2Br)c1N
InChIInChI=1S/C14H17BrN4O/c1-4-10-12(16)13(19(3)18-10)14(20)17-11-6-5-8(2)7-9(11)15/h5-7H,4,16H2,1-3H3,(H,17,20)
InChIKeyZQEQKPGODSOELS-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.89
Rot. Bonds3

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

4-amino-N-(2-bromo-4-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 66124519) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is 4-amino-N-(2-bromo-4-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-bromo-4-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID66124519
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name4-amino-N-(2-bromo-4-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)Nc2ccc(C)cc2Br)c1N
InChIInChI=1S/C14H17BrN4O/c1-4-10-12(16)13(19(3)18-10)14(20)17-11-6-5-8(2)7-9(11)15/h5-7H,4,16H2,1-3H3,(H,17,20)
InChIKeyZQEQKPGODSOELS-UHFFFAOYSA-N
XLogP2.89
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-bromo-4-cyanophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 107796820
4-amino-3-ethyl-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-5-carboxamide
CID 66123745
4-amino-3-ethyl-1-methyl-N-(4-methyl-3-pyridinyl)pyrazole-5-carboxamide
CID 66117820
4-amino-N-(2-bromo-4-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66122027
4-amino-N-(5-bromo-2-pyridinyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66125685
4-amino-3-ethyl-N-[2-(methoxymethyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 66117385
4-amino-3-ethyl-1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide
CID 66124158
4-amino-3-ethyl-1-methyl-N-(3,4,5-trifluorophenyl)pyrazole-5-carboxamide
CID 66117392
4-amino-N-(2,6-difluoro-3-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 82799743
N-(2-bromo-4-methylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742902
4-amino-3-ethyl-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide
CID 66123358
4-amino-N-(1,3-benzothiazol-6-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 107802510

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-bromo-4-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-bromo-4-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide (CID 66124519) is 4-amino-N-(2-bromo-4-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-bromo-4-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-bromo-4-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1nn(C)c(C(=O)Nc2ccc(C)cc2Br)c1N.
What is the InChIKey of 4-amino-N-(2-bromo-4-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is ZQEQKPGODSOELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-4-10-12(16)13(19(3)18-10)14(20)17-11-6-5-8(2)7-9(11)15/h5-7H,4,16H2,1-3H3,(H,17,20).
What are the key properties of 4-amino-N-(2-bromo-4-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
4-amino-N-(2-bromo-4-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 337.22 g/mol, XLogP of 2.89, 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-4-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66124519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).