N-(4-bromo-3-methylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide

C15H18BrN3O — CID 20950809

IUPACN-(4-bromo-3-methylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
SMILESCc1cc(NC(=O)C(C)c2c(C)n[nH]c2C)ccc1Br
InChIInChI=1S/C15H18BrN3O/c1-8-7-12(5-6-13(8)16)17-15(20)9(2)14-10(3)18-19-11(14)4/h5-7,9H,1-4H3,(H,17,20)(H,18,19)
InChIKeyIPIHWKYTONJTQA-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.84
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide

N-(4-bromo-3-methylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide (PubChem CID 20950809) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
PubChem CID20950809
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC NameN-(4-bromo-3-methylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
SMILESCc1cc(NC(=O)C(C)c2c(C)n[nH]c2C)ccc1Br
InChIInChI=1S/C15H18BrN3O/c1-8-7-12(5-6-13(8)16)17-15(20)9(2)14-10(3)18-19-11(14)4/h5-7,9H,1-4H3,(H,17,20)(H,18,19)
InChIKeyIPIHWKYTONJTQA-UHFFFAOYSA-N
XLogP3.84
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 92750043
N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582476
N-(3-chloro-4-methoxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 20950820
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-methoxyphenyl)propanamide
CID 20950780
N-(2,4-dimethylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 20950798
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 20950805
2-bromo-N-(4-bromo-3-methylphenyl)propanamide
CID 12708491
N-(4-bromo-3-methylphenyl)-2-hydroxypropanamide
CID 82132450
(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]propanamide
CID 99637184
(2S)-N-(4-bromo-3-methylphenyl)-2-[(R)-ethylsulfinyl]propanamide
CID 97237997
2-amino-N-(4-bromo-3-methylphenyl)-3,3-dimethylbutanamide
CID 76891825
(2S)-2-benzylsulfanyl-N-(4-bromo-3-methylphenyl)propanamide
CID 1257680

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide (CID 20950809) is N-(4-bromo-3-methylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide is Cc1cc(NC(=O)C(C)c2c(C)n[nH]c2C)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The InChIKey is IPIHWKYTONJTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-8-7-12(5-6-13(8)16)17-15(20)9(2)14-10(3)18-19-11(14)4/h5-7,9H,1-4H3,(H,17,20)(H,18,19).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
N-(4-bromo-3-methylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide has a molecular weight of 336.23 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 20950809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).