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

C14H16BrN3O — CID 66121522

IUPACN-(4-bromo-2-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc(Br)cc2C)n(C)n1
InChIInChI=1S/C14H16BrN3O/c1-4-11-8-13(18(3)17-11)14(19)16-12-6-5-10(15)7-9(12)2/h5-8H,4H2,1-3H3,(H,16,19)
InChIKeyDCGYDHDQSAIOLF-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.31
Rot. Bonds3

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

N-(4-bromo-2-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 66121522) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID66121522
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC NameN-(4-bromo-2-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc(Br)cc2C)n(C)n1
InChIInChI=1S/C14H16BrN3O/c1-4-11-8-13(18(3)17-11)14(19)16-12-6-5-10(15)7-9(12)2/h5-8H,4H2,1-3H3,(H,16,19)
InChIKeyDCGYDHDQSAIOLF-UHFFFAOYSA-N
XLogP3.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-amino-2-bromo-4-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 104814558
N-(4-bromo-2-methylphenyl)-3-methylimidazole-4-carboxamide
CID 110863038
N-(2-amino-5-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 112557417
3-ethyl-N-(4-fluoro-2-iodophenyl)-1-methylpyrazole-5-carboxamide
CID 79765896
N-(4-amino-2-chlorophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120705
N-(2-aminophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119915
N-(4-bromo-2-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28780531
N-(5-bromo-2-methylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61061508
5-amino-2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]benzoic acid
CID 66121300
3-amino-4-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]benzoic acid
CID 66121495
N-(4-bromo-2-methylphenyl)-4-chloro-1-propylpyrrole-2-carboxamide
CID 43639788
N-(2-amino-4-methoxyphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119722

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide (CID 66121522) is N-(4-bromo-2-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1cc(C(=O)Nc2ccc(Br)cc2C)n(C)n1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is DCGYDHDQSAIOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-4-11-8-13(18(3)17-11)14(19)16-12-6-5-10(15)7-9(12)2/h5-8H,4H2,1-3H3,(H,16,19).
What are the key properties of N-(4-bromo-2-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
N-(4-bromo-2-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 322.21 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66121522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).