(4-methoxy-1-methylpyrazol-5-yl)-(3-methyl-2-pyridinyl)methanamine

C12H16N4O — CID 114648978

IUPAC(4-methoxy-1-methylpyrazol-5-yl)-(3-methyl-2-pyridinyl)methanamine
SMILESCOc1cnn(C)c1C(N)c1ncccc1C
InChIInChI=1S/C12H16N4O/c1-8-5-4-6-14-11(8)10(13)12-9(17-3)7-15-16(12)2/h4-7,10H,13H2,1-3H3
InChIKeyPXCRDPYALYCNCW-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.18
Rot. Bonds3

About (4-methoxy-1-methylpyrazol-5-yl)-(3-methyl-2-pyridinyl)methanamine

(4-methoxy-1-methylpyrazol-5-yl)-(3-methyl-2-pyridinyl)methanamine (PubChem CID 114648978) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is (4-methoxy-1-methylpyrazol-5-yl)-(3-methyl-2-pyridinyl)methanamine.

Molecular Properties

Compound Name(4-methoxy-1-methylpyrazol-5-yl)-(3-methyl-2-pyridinyl)methanamine
PubChem CID114648978
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name(4-methoxy-1-methylpyrazol-5-yl)-(3-methyl-2-pyridinyl)methanamine
SMILESCOc1cnn(C)c1C(N)c1ncccc1C
InChIInChI=1S/C12H16N4O/c1-8-5-4-6-14-11(8)10(13)12-9(17-3)7-15-16(12)2/h4-7,10H,13H2,1-3H3
InChIKeyPXCRDPYALYCNCW-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

(3-chloro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 103443925
2-[5-[amino-(3-methyl-2-pyridinyl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114648971
1-(4-methoxy-1-methylpyrazol-5-yl)-2-(2-methylphenyl)ethanamine
CID 114648841
(4-methoxy-3-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114659334
(3-ethyl-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114645343
[(1-ethyl-4-methoxypyrazol-5-yl)-(3-methyl-2-pyridinyl)methyl]hydrazine
CID 105209168
(4-methoxy-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanamine
CID 114646467
(2,4-dimethoxyphenyl)-(3-methyl-2-pyridinyl)methanamine
CID 62801966
(4-methoxy-1-methylpyrazol-5-yl)-(2-methylquinolin-4-yl)methanamine
CID 105186319
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine
CID 105186196
(4-methoxy-1-methylpyrazol-5-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 105046927
N-[(3-bromo-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114660568

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-methylpyrazol-5-yl)-(3-methyl-2-pyridinyl)methanamine?
The IUPAC name of (4-methoxy-1-methylpyrazol-5-yl)-(3-methyl-2-pyridinyl)methanamine (CID 114648978) is (4-methoxy-1-methylpyrazol-5-yl)-(3-methyl-2-pyridinyl)methanamine.
What is the SMILES notation for (4-methoxy-1-methylpyrazol-5-yl)-(3-methyl-2-pyridinyl)methanamine?
The canonical SMILES for (4-methoxy-1-methylpyrazol-5-yl)-(3-methyl-2-pyridinyl)methanamine is COc1cnn(C)c1C(N)c1ncccc1C.
What is the InChIKey of (4-methoxy-1-methylpyrazol-5-yl)-(3-methyl-2-pyridinyl)methanamine?
The InChIKey is PXCRDPYALYCNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8-5-4-6-14-11(8)10(13)12-9(17-3)7-15-16(12)2/h4-7,10H,13H2,1-3H3.
What are the key properties of (4-methoxy-1-methylpyrazol-5-yl)-(3-methyl-2-pyridinyl)methanamine?
(4-methoxy-1-methylpyrazol-5-yl)-(3-methyl-2-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)-(3-methyl-2-pyridinyl)methanamine is sourced from PubChem (CID 114648978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).