N-(4-bromo-2-ethylphenyl)-2-pyrazol-1-ylpropanamide

C14H16BrN3O — CID 81004249

IUPACN-(4-bromo-2-ethylphenyl)-2-pyrazol-1-ylpropanamide
SMILESCCc1cc(Br)ccc1NC(=O)C(C)n1cccn1
InChIInChI=1S/C14H16BrN3O/c1-3-11-9-12(15)5-6-13(11)17-14(19)10(2)18-8-4-7-16-18/h4-10H,3H2,1-2H3,(H,17,19)
InChIKeyRNGCUCCQXQSGGY-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.41
Rot. Bonds4

About N-(4-bromo-2-ethylphenyl)-2-pyrazol-1-ylpropanamide

N-(4-bromo-2-ethylphenyl)-2-pyrazol-1-ylpropanamide (PubChem CID 81004249) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-2-pyrazol-1-ylpropanamide
PubChem CID81004249
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC NameN-(4-bromo-2-ethylphenyl)-2-pyrazol-1-ylpropanamide
SMILESCCc1cc(Br)ccc1NC(=O)C(C)n1cccn1
InChIInChI=1S/C14H16BrN3O/c1-3-11-9-12(15)5-6-13(11)17-14(19)10(2)18-8-4-7-16-18/h4-10H,3H2,1-2H3,(H,17,19)
InChIKeyRNGCUCCQXQSGGY-UHFFFAOYSA-N
XLogP3.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-cyanophenyl)-2-pyrazol-1-ylpropanamide
CID 104880147
N-(5-bromo-2-chloro-3-pyridinyl)-2-pyrazol-1-ylpropanamide
CID 102979193
N-(2-bromo-3-chlorophenyl)-2-pyrazol-1-ylpropanamide
CID 103479974
(2R)-N-[2,4-difluoro-5-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 97320876
N-(4-bromo-2-ethylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119727073
N-(2-ethoxy-3-pyridinyl)-2-pyrazol-1-ylpropanamide
CID 47177158
N-[1-(4-bromophenyl)ethyl]-2-pyrazol-1-ylpropanamide
CID 47156459
N-(4-hydroxy-2,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide
CID 106834635
N-(4-bromo-3,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide
CID 106491100
N-(2-tert-butylphenyl)-2-pyrazol-1-ylpropanamide
CID 47156271
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
(2S)-2-amino-N-(4-bromo-2-ethylphenyl)butanamide;hydrochloride
CID 119291319

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-2-pyrazol-1-ylpropanamide (CID 81004249) is N-(4-bromo-2-ethylphenyl)-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-2-pyrazol-1-ylpropanamide is CCc1cc(Br)ccc1NC(=O)C(C)n1cccn1.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-2-pyrazol-1-ylpropanamide?
The InChIKey is RNGCUCCQXQSGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-3-11-9-12(15)5-6-13(11)17-14(19)10(2)18-8-4-7-16-18/h4-10H,3H2,1-2H3,(H,17,19).
What are the key properties of N-(4-bromo-2-ethylphenyl)-2-pyrazol-1-ylpropanamide?
N-(4-bromo-2-ethylphenyl)-2-pyrazol-1-ylpropanamide has a molecular weight of 322.21 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 81004249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).