N-[[1-(5-bromo-2-pyridinyl)-5-methylpyrazol-4-yl]methyl]-2-methoxyethanamine

C13H17BrN4O — CID 66442415

IUPACN-[[1-(5-bromo-2-pyridinyl)-5-methylpyrazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cnn(-c2ccc(Br)cn2)c1C
InChIInChI=1S/C13H17BrN4O/c1-10-11(7-15-5-6-19-2)8-17-18(10)13-4-3-12(14)9-16-13/h3-4,8-9,15H,5-7H2,1-2H3
InChIKeyFDQIHOAIIMQDBL-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.07
Rot. Bonds6

About N-[[1-(5-bromo-2-pyridinyl)-5-methylpyrazol-4-yl]methyl]-2-methoxyethanamine

N-[[1-(5-bromo-2-pyridinyl)-5-methylpyrazol-4-yl]methyl]-2-methoxyethanamine (PubChem CID 66442415) has the molecular formula C13H17BrN4O and a molecular weight of 325.21 g/mol. Its IUPAC name is N-[[1-(5-bromo-2-pyridinyl)-5-methylpyrazol-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(5-bromo-2-pyridinyl)-5-methylpyrazol-4-yl]methyl]-2-methoxyethanamine
PubChem CID66442415
Molecular FormulaC13H17BrN4O
Molecular Weight325.21 g/mol
Exact Mass324.06
IUPAC NameN-[[1-(5-bromo-2-pyridinyl)-5-methylpyrazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cnn(-c2ccc(Br)cn2)c1C
InChIInChI=1S/C13H17BrN4O/c1-10-11(7-15-5-6-19-2)8-17-18(10)13-4-3-12(14)9-16-13/h3-4,8-9,15H,5-7H2,1-2H3
InChIKeyFDQIHOAIIMQDBL-UHFFFAOYSA-N
XLogP2.07
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(5-bromo-2-pyridinyl)-5-methylpyrazol-4-yl]methyl]propan-2-amine
CID 65347734
2-methoxy-N-[[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 66440069
N-[[1-[(5-bromo-2-pyridinyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 104811700
N-[[6-[(5-bromo-2-pyridinyl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80650841
N-[(1-butan-2-yl-5-methylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 66442755
N-[(1-cycloheptyl-5-methylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 66442547
N-[[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80635766
N-[[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine
CID 66440011
N-[[5-[(5-bromo-2-pyridinyl)methoxy]-2-pyridinyl]methyl]-2-methoxyethanamine
CID 104796402
2-methoxy-N-[[5-methyl-1-(2-methylidenebutyl)pyrazol-4-yl]methyl]ethanamine
CID 66036894
2-methoxy-N-[[5-methyl-1-(4-methylpentyl)pyrazol-4-yl]methyl]ethanamine
CID 83169846
N-[[5-(difluoromethyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66440673

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-bromo-2-pyridinyl)-5-methylpyrazol-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(5-bromo-2-pyridinyl)-5-methylpyrazol-4-yl]methyl]-2-methoxyethanamine (CID 66442415) is N-[[1-(5-bromo-2-pyridinyl)-5-methylpyrazol-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(5-bromo-2-pyridinyl)-5-methylpyrazol-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(5-bromo-2-pyridinyl)-5-methylpyrazol-4-yl]methyl]-2-methoxyethanamine is COCCNCc1cnn(-c2ccc(Br)cn2)c1C.
What is the InChIKey of N-[[1-(5-bromo-2-pyridinyl)-5-methylpyrazol-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is FDQIHOAIIMQDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O/c1-10-11(7-15-5-6-19-2)8-17-18(10)13-4-3-12(14)9-16-13/h3-4,8-9,15H,5-7H2,1-2H3.
What are the key properties of N-[[1-(5-bromo-2-pyridinyl)-5-methylpyrazol-4-yl]methyl]-2-methoxyethanamine?
N-[[1-(5-bromo-2-pyridinyl)-5-methylpyrazol-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 325.21 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-bromo-2-pyridinyl)-5-methylpyrazol-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 66442415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).