1-(5-bromo-2-pyridinyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]methanamine

C12H15BrN4O — CID 114255534

IUPAC1-(5-bromo-2-pyridinyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]methanamine
SMILESCOc1cc(CNCc2ccc(Br)cn2)nn1C
InChIInChI=1S/C12H15BrN4O/c1-17-12(18-2)5-11(16-17)8-14-7-10-4-3-9(13)6-15-10/h3-6,14H,7-8H2,1-2H3
InChIKeyJSAZNBHNNFOQJI-UHFFFAOYSA-N
MW311.18 g/mol
LogP1.88
Rot. Bonds5

About 1-(5-bromo-2-pyridinyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]methanamine

1-(5-bromo-2-pyridinyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]methanamine (PubChem CID 114255534) has the molecular formula C12H15BrN4O and a molecular weight of 311.18 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]methanamine
PubChem CID114255534
Molecular FormulaC12H15BrN4O
Molecular Weight311.18 g/mol
Exact Mass310.04
IUPAC Name1-(5-bromo-2-pyridinyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]methanamine
SMILESCOc1cc(CNCc2ccc(Br)cn2)nn1C
InChIInChI=1S/C12H15BrN4O/c1-17-12(18-2)5-11(16-17)8-14-7-10-4-3-9(13)6-15-10/h3-6,14H,7-8H2,1-2H3
InChIKeyJSAZNBHNNFOQJI-UHFFFAOYSA-N
XLogP1.88
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-bromo-2-pyridinyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanone
CID 114255296
1-(5-bromo-2-pyridinyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanamine
CID 112668648
N-[(5-bromo-2-pyridinyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 115656244
3-ethyl-5-methoxy-1-methylpyrazole
CID 165138939
N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-5,6-dimethylpyrazin-2-amine
CID 114256788
N-[(5-bromo-2-pyridinyl)methyl]-2-chloropropan-1-amine
CID 104811160
N-(2-methoxyethyl)-2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]acetamide
CID 114255770
4-bromo-N-[(5-bromo-2-pyridinyl)methyl]-3-methoxyaniline
CID 79479390
1-(5-bromo-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275506
6-chloro-5-ethyl-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine
CID 114256242
4-[(5-bromo-2-pyridinyl)methylamino]-1-methoxybutan-2-ol
CID 103876253
N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-6-methylpyridin-2-amine
CID 114256789

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]methanamine (CID 114255534) is 1-(5-bromo-2-pyridinyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]methanamine is COc1cc(CNCc2ccc(Br)cn2)nn1C.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]methanamine?
The InChIKey is JSAZNBHNNFOQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O/c1-17-12(18-2)5-11(16-17)8-14-7-10-4-3-9(13)6-15-10/h3-6,14H,7-8H2,1-2H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]methanamine?
1-(5-bromo-2-pyridinyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]methanamine has a molecular weight of 311.18 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]methanamine is sourced from PubChem (CID 114255534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).