(4-bromo-1-methylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanamine

C11H13BrN4O — CID 105066155

IUPAC(4-bromo-1-methylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanamine
SMILESCOc1cnccc1C(N)c1c(Br)cnn1C
InChIInChI=1S/C11H13BrN4O/c1-16-11(8(12)5-15-16)10(13)7-3-4-14-6-9(7)17-2/h3-6,10H,13H2,1-2H3
InChIKeyBKTODRXBZSGXQR-UHFFFAOYSA-N
MW297.16 g/mol
LogP1.63
Rot. Bonds3

About (4-bromo-1-methylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanamine

(4-bromo-1-methylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanamine (PubChem CID 105066155) has the molecular formula C11H13BrN4O and a molecular weight of 297.16 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanamine.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanamine
PubChem CID105066155
Molecular FormulaC11H13BrN4O
Molecular Weight297.16 g/mol
Exact Mass296.03
IUPAC Name(4-bromo-1-methylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanamine
SMILESCOc1cnccc1C(N)c1c(Br)cnn1C
InChIInChI=1S/C11H13BrN4O/c1-16-11(8(12)5-15-16)10(13)7-3-4-14-6-9(7)17-2/h3-6,10H,13H2,1-2H3
InChIKeyBKTODRXBZSGXQR-UHFFFAOYSA-N
XLogP1.63
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-bromo-4-methoxyphenyl)-(4-bromo-1-methylpyrazol-5-yl)methanamine
CID 105054199
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanol
CID 105066445
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanamine
CID 105066069
(4-chloro-1-methylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanol
CID 105066457
(4-bromo-1-methylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanamine
CID 103374008
(3-methoxy-4-pyridinyl)-pyrimidin-5-ylmethanamine
CID 105065336
(4-bromo-1-methylpyrazol-5-yl)-(2,3-dimethylphenyl)methanamine
CID 105054313
(5-bromo-2-methylphenyl)-(4-bromo-1-methylpyrazol-5-yl)methanamine
CID 105054403
(4-bromo-1-methylpyrazol-5-yl)-(2-methylsulfanylphenyl)methanamine
CID 105054374
(4-bromo-1-methylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanol
CID 114645155
furan-2-yl-(3-methoxy-4-pyridinyl)methanamine
CID 105065582
[(3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105339114

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanamine?
The IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanamine (CID 105066155) is (4-bromo-1-methylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanamine.
What is the SMILES notation for (4-bromo-1-methylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanamine?
The canonical SMILES for (4-bromo-1-methylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanamine is COc1cnccc1C(N)c1c(Br)cnn1C.
What is the InChIKey of (4-bromo-1-methylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanamine?
The InChIKey is BKTODRXBZSGXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O/c1-16-11(8(12)5-15-16)10(13)7-3-4-14-6-9(7)17-2/h3-6,10H,13H2,1-2H3.
What are the key properties of (4-bromo-1-methylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanamine?
(4-bromo-1-methylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanamine has a molecular weight of 297.16 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanamine is sourced from PubChem (CID 105066155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).