2-[4-(aminomethyl)pyrazol-1-yl]-N-(3-bromophenyl)acetamide

C12H13BrN4O — CID 55168361

IUPAC2-[4-(aminomethyl)pyrazol-1-yl]-N-(3-bromophenyl)acetamide
SMILESNCc1cnn(CC(=O)Nc2cccc(Br)c2)c1
InChIInChI=1S/C12H13BrN4O/c13-10-2-1-3-11(4-10)16-12(18)8-17-7-9(5-14)6-15-17/h1-4,6-7H,5,8,14H2,(H,16,18)
InChIKeyRUAHRTLVGIIPPZ-UHFFFAOYSA-N
MW309.17 g/mol
LogP1.74
Rot. Bonds4

About 2-[4-(aminomethyl)pyrazol-1-yl]-N-(3-bromophenyl)acetamide

2-[4-(aminomethyl)pyrazol-1-yl]-N-(3-bromophenyl)acetamide (PubChem CID 55168361) has the molecular formula C12H13BrN4O and a molecular weight of 309.17 g/mol. Its IUPAC name is 2-[4-(aminomethyl)pyrazol-1-yl]-N-(3-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)pyrazol-1-yl]-N-(3-bromophenyl)acetamide
PubChem CID55168361
Molecular FormulaC12H13BrN4O
Molecular Weight309.17 g/mol
Exact Mass308.03
IUPAC Name2-[4-(aminomethyl)pyrazol-1-yl]-N-(3-bromophenyl)acetamide
SMILESNCc1cnn(CC(=O)Nc2cccc(Br)c2)c1
InChIInChI=1S/C12H13BrN4O/c13-10-2-1-3-11(4-10)16-12(18)8-17-7-9(5-14)6-15-17/h1-4,6-7H,5,8,14H2,(H,16,18)
InChIKeyRUAHRTLVGIIPPZ-UHFFFAOYSA-N
XLogP1.74
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-bromoanilino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 43565364
2-(4-bromopyrazol-1-yl)-N-(3-methylphenyl)acetamide
CID 60865505
1-[2-(3-bromoanilino)-2-oxoethyl]triazole-4-carboxylic acid
CID 62059614
N-(3-bromophenyl)-2-(4-formyltriazol-1-yl)acetamide
CID 66216003
2-[4-(aminomethyl)pyrazol-1-yl]-N-benzylacetamide
CID 63253915
2-[3-(1-aminoethyl)-1,2,4-triazol-1-yl]-N-(3-bromophenyl)acetamide
CID 105359633
1-[[3-(aminomethyl)phenyl]methyl]-3-(3-bromophenyl)urea
CID 108870136
2-(azepan-1-yl)-N-(3-bromophenyl)acetamide
CID 2958639
ethyl 1-[2-(3-methylanilino)-2-oxoethyl]pyrazole-4-carboxylate
CID 81495449
N'-(3-bromophenyl)-N-phenylpropanediamide
CID 108952873
N-(4-bromo-3-methylphenyl)-2-(4-bromopyrazol-1-yl)acetamide
CID 47263148
2-(4-bromopyrazol-1-yl)-N-(4-phenylphenyl)acetamide
CID 19524588

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)pyrazol-1-yl]-N-(3-bromophenyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)pyrazol-1-yl]-N-(3-bromophenyl)acetamide (CID 55168361) is 2-[4-(aminomethyl)pyrazol-1-yl]-N-(3-bromophenyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)pyrazol-1-yl]-N-(3-bromophenyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)pyrazol-1-yl]-N-(3-bromophenyl)acetamide is NCc1cnn(CC(=O)Nc2cccc(Br)c2)c1.
What is the InChIKey of 2-[4-(aminomethyl)pyrazol-1-yl]-N-(3-bromophenyl)acetamide?
The InChIKey is RUAHRTLVGIIPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O/c13-10-2-1-3-11(4-10)16-12(18)8-17-7-9(5-14)6-15-17/h1-4,6-7H,5,8,14H2,(H,16,18).
What are the key properties of 2-[4-(aminomethyl)pyrazol-1-yl]-N-(3-bromophenyl)acetamide?
2-[4-(aminomethyl)pyrazol-1-yl]-N-(3-bromophenyl)acetamide has a molecular weight of 309.17 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)pyrazol-1-yl]-N-(3-bromophenyl)acetamide is sourced from PubChem (CID 55168361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).