N-[(2-bromophenyl)methyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C16H20BrN3O — CID 30750044

IUPACN-[(2-bromophenyl)methyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)N(C)Cc1ccccc1Br
InChIInChI=1S/C16H20BrN3O/c1-11-14(12(2)20(4)18-11)9-16(21)19(3)10-13-7-5-6-8-15(13)17/h5-8H,9-10H2,1-4H3
InChIKeyNEQVBCJNJAQVRY-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.00
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-[(2-bromophenyl)methyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 30750044) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID30750044
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC NameN-[(2-bromophenyl)methyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)N(C)Cc1ccccc1Br
InChIInChI=1S/C16H20BrN3O/c1-11-14(12(2)20(4)18-11)9-16(21)19(3)10-13-7-5-6-8-15(13)17/h5-8H,9-10H2,1-4H3
InChIKeyNEQVBCJNJAQVRY-UHFFFAOYSA-N
XLogP3.00
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(2-nitrophenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 46412913
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 30035013
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 30749972
N-[(2-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 16769580
N-[(2-bromophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide
CID 60697714
3-(2-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide
CID 55833713
N-[(2-bromophenyl)methyl]-4-(chloromethyl)-N,1,3-trimethylpyrazol-5-amine
CID 61416100
1-(2-bromophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-ol
CID 105077158
N-[(2-bromophenyl)methyl]-N,3-dimethylbutanamide
CID 60630959
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 119654378
N-[(2-bromophenyl)methyl]-N,3-dimethylimidazole-4-carboxamide
CID 103511075
1-(2-bromophenyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 20964064

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 30750044) is N-[(2-bromophenyl)methyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1CC(=O)N(C)Cc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is NEQVBCJNJAQVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-11-14(12(2)20(4)18-11)9-16(21)19(3)10-13-7-5-6-8-15(13)17/h5-8H,9-10H2,1-4H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-[(2-bromophenyl)methyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 350.26 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 30750044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).