1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrazol-5-amine

C11H14N4O — CID 114936958

IUPAC1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrazol-5-amine
SMILESCOc1ccc(Cn2ncc(C)c2N)cn1
InChIInChI=1S/C11H14N4O/c1-8-5-14-15(11(8)12)7-9-3-4-10(16-2)13-6-9/h3-6H,7,12H2,1-2H3
InChIKeyLFBAOOCTQIWZGH-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.23
Rot. Bonds3

About 1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrazol-5-amine

1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrazol-5-amine (PubChem CID 114936958) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrazol-5-amine.

Molecular Properties

Compound Name1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrazol-5-amine
PubChem CID114936958
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrazol-5-amine
SMILESCOc1ccc(Cn2ncc(C)c2N)cn1
InChIInChI=1S/C11H14N4O/c1-8-5-14-15(11(8)12)7-9-3-4-10(16-2)13-6-9/h3-6H,7,12H2,1-2H3
InChIKeyLFBAOOCTQIWZGH-UHFFFAOYSA-N
XLogP1.23
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-methoxyphenyl)methyl]-4-(6-methoxy-3-pyridinyl)pyrazol-5-amine
CID 70925358
1-[(6-methoxy-2-pyridinyl)methyl]-4-methylpyrazol-5-amine
CID 103347745
4-methyl-1-[(4-phenylphenyl)methyl]pyrazol-5-amine
CID 29060877
4-methyl-1-(pyrimidin-5-ylmethyl)pyrazol-5-amine
CID 130964491
4-chloro-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-5-amine
CID 104822090
1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpiperazine
CID 126759844
1-[(6-methoxy-3-pyridinyl)methyl]-4-phenyltetrazol-5-one
CID 122144248
3-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-1H-imidazole-2-thione
CID 81335625
4-[(6-methoxy-3-pyridinyl)methyl]piperazine-2,6-dione
CID 55237904
methyl 5-amino-2-ethyl-1-[(6-methoxy-3-pyridinyl)methyl]imidazole-4-carboxylate
CID 103545427
1-[(4-methoxyphenyl)methyl]-5-methylindazol-4-amine
CID 146288251
ethane;5-ethyl-2-methoxypyridine;5-methylpyridin-2-amine
CID 145378982

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrazol-5-amine?
The IUPAC name of 1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrazol-5-amine (CID 114936958) is 1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrazol-5-amine.
What is the SMILES notation for 1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrazol-5-amine?
The canonical SMILES for 1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrazol-5-amine is COc1ccc(Cn2ncc(C)c2N)cn1.
What is the InChIKey of 1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrazol-5-amine?
The InChIKey is LFBAOOCTQIWZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8-5-14-15(11(8)12)7-9-3-4-10(16-2)13-6-9/h3-6H,7,12H2,1-2H3.
What are the key properties of 1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrazol-5-amine?
1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrazol-5-amine has a molecular weight of 218.26 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrazol-5-amine is sourced from PubChem (CID 114936958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).