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

C12H16N4O — CID 105186353

IUPAC(4-methoxy-1-methylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanamine
SMILESCOc1cnn(C)c1C(N)c1cncc(C)c1
InChIInChI=1S/C12H16N4O/c1-8-4-9(6-14-5-8)11(13)12-10(17-3)7-15-16(12)2/h4-7,11H,13H2,1-3H3
InChIKeyXMTFUMQCIQBJNL-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.18
Rot. Bonds3

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

(4-methoxy-1-methylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanamine (PubChem CID 105186353) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is (4-methoxy-1-methylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(4-methoxy-1-methylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanamine
PubChem CID105186353
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name(4-methoxy-1-methylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanamine
SMILESCOc1cnn(C)c1C(N)c1cncc(C)c1
InChIInChI=1S/C12H16N4O/c1-8-4-9(6-14-5-8)11(13)12-10(17-3)7-15-16(12)2/h4-7,11H,13H2,1-3H3
InChIKeyXMTFUMQCIQBJNL-UHFFFAOYSA-N
XLogP1.18
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxy-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanamine
CID 105187163
(3-bromo-5-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 105047093
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105186368
(4-methoxy-3-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114659334
(4-methoxy-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanamine
CID 114646467
(4-methoxy-3-methylphenyl)-(5-methyl-3-pyridinyl)methanamine
CID 113297303
(2,5-dimethylfuran-3-yl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 105047134
(3-bromo-4-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114659728
(4-methoxy-1-methylpyrazol-5-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 105046927
(3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 105048688
(2-methylpyrazol-3-yl)-(5-methyl-3-pyridinyl)methanamine
CID 105148719
(5-bromo-3-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 114658293

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-methylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanamine?
The IUPAC name of (4-methoxy-1-methylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanamine (CID 105186353) is (4-methoxy-1-methylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for (4-methoxy-1-methylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanamine?
The canonical SMILES for (4-methoxy-1-methylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanamine is COc1cnn(C)c1C(N)c1cncc(C)c1.
What is the InChIKey of (4-methoxy-1-methylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanamine?
The InChIKey is XMTFUMQCIQBJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8-4-9(6-14-5-8)11(13)12-10(17-3)7-15-16(12)2/h4-7,11H,13H2,1-3H3.
What are the key properties of (4-methoxy-1-methylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanamine?
(4-methoxy-1-methylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanamine has a molecular weight of 232.29 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1-methylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 105186353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).