N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-methyl-3-(methylamino)propanamide

C15H19BrN4O — CID 119732827

IUPACN-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)Nc1ccnn1Cc1cccc(Br)c1
InChIInChI=1S/C15H19BrN4O/c1-11(9-17-2)15(21)19-14-6-7-18-20(14)10-12-4-3-5-13(16)8-12/h3-8,11,17H,9-10H2,1-2H3,(H,19,21)
InChIKeyAOVBQDZHZXYEQM-UHFFFAOYSA-N
MW351.25 g/mol
LogP2.49
Rot. Bonds6

About N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-methyl-3-(methylamino)propanamide

N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-methyl-3-(methylamino)propanamide (PubChem CID 119732827) has the molecular formula C15H19BrN4O and a molecular weight of 351.25 g/mol. Its IUPAC name is N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-methyl-3-(methylamino)propanamide
PubChem CID119732827
Molecular FormulaC15H19BrN4O
Molecular Weight351.25 g/mol
Exact Mass350.07
IUPAC NameN-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)Nc1ccnn1Cc1cccc(Br)c1
InChIInChI=1S/C15H19BrN4O/c1-11(9-17-2)15(21)19-14-6-7-18-20(14)10-12-4-3-5-13(16)8-12/h3-8,11,17H,9-10H2,1-2H3,(H,19,21)
InChIKeyAOVBQDZHZXYEQM-UHFFFAOYSA-N
XLogP2.49
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-3-methylfuran-2-carboxamide
CID 47047247
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55776652
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-(2,5-dimethylphenoxy)acetamide
CID 55776337
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]cyclohex-3-ene-1-carboxamide
CID 47047221
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55776523
ethyl 6-[[2-[(3-bromophenyl)methyl]pyrazol-3-yl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55776554
(2S,5R)-5-(aminomethyl)-N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide
CID 120788298
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 55776817
ethyl 5-[[2-[(3-bromophenyl)methyl]pyrazol-3-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 55776529
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 55776753
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-5-methylsulfanyl-2-nitrobenzamide
CID 55776819
(2S)-N-(2-benzylpyrazol-3-yl)-2-phenoxypropanamide
CID 30804831

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-methyl-3-(methylamino)propanamide (CID 119732827) is N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)Nc1ccnn1Cc1cccc(Br)c1.
What is the InChIKey of N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is AOVBQDZHZXYEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O/c1-11(9-17-2)15(21)19-14-6-7-18-20(14)10-12-4-3-5-13(16)8-12/h3-8,11,17H,9-10H2,1-2H3,(H,19,21).
What are the key properties of N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-methyl-3-(methylamino)propanamide?
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 351.25 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 119732827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).