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

C14H16BrN3O — CID 110695334

IUPACN-(4-bromo-2-methylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1cc(Br)ccc1NC(=O)Cc1c(C)n[nH]c1C
InChIInChI=1S/C14H16BrN3O/c1-8-6-11(15)4-5-13(8)16-14(19)7-12-9(2)17-18-10(12)3/h4-6H,7H2,1-3H3,(H,16,19)(H,17,18)
InChIKeySLNCJMQBQNRVNF-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.28
Rot. Bonds3

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

N-(4-bromo-2-methylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (PubChem CID 110695334) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
PubChem CID110695334
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC NameN-(4-bromo-2-methylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1cc(Br)ccc1NC(=O)Cc1c(C)n[nH]c1C
InChIInChI=1S/C14H16BrN3O/c1-8-6-11(15)4-5-13(8)16-14(19)7-12-9(2)17-18-10(12)3/h4-6H,7H2,1-3H3,(H,16,19)(H,17,18)
InChIKeySLNCJMQBQNRVNF-UHFFFAOYSA-N
XLogP3.28
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dichlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 110695352
N-(4-bromo-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24665858
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 55259828
3-bromo-N-(4-bromo-2-methylphenyl)propanamide
CID 115571608
methyl 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]thiophene-2-carboxylate
CID 43408089
N-(4-bromo-2-methylphenyl)octanamide
CID 4582485
N-(4-bromo-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3489380
5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-3-methylthiophene-2-carboxylic acid
CID 43356625
2-(4-bromophenyl)-N-(2,4-dimethylphenyl)acetamide
CID 2600129
N-(4-bromo-2-methylphenyl)-3,3,3-trifluoropropanamide
CID 24701652
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 61221604
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[5-(4-propylphenyl)-1H-pyrazol-3-yl]acetamide
CID 126796562

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (CID 110695334) is N-(4-bromo-2-methylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is Cc1cc(Br)ccc1NC(=O)Cc1c(C)n[nH]c1C.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The InChIKey is SLNCJMQBQNRVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-8-6-11(15)4-5-13(8)16-14(19)7-12-9(2)17-18-10(12)3/h4-6H,7H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
N-(4-bromo-2-methylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide has a molecular weight of 322.21 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 110695334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).