3-(1,3-dimethylpyrazol-4-yl)-4-methoxypyridine

C11H13N3O — CID 166436066

IUPAC3-(1,3-dimethylpyrazol-4-yl)-4-methoxypyridine
SMILESCOc1ccncc1-c1cn(C)nc1C
InChIInChI=1S/C11H13N3O/c1-8-10(7-14(2)13-8)9-6-12-5-4-11(9)15-3/h4-7H,1-3H3
InChIKeyAYJFIALUUHIPOY-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.80
Rot. Bonds2

About 3-(1,3-dimethylpyrazol-4-yl)-4-methoxypyridine

3-(1,3-dimethylpyrazol-4-yl)-4-methoxypyridine (PubChem CID 166436066) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-(1,3-dimethylpyrazol-4-yl)-4-methoxypyridine.

Molecular Properties

Compound Name3-(1,3-dimethylpyrazol-4-yl)-4-methoxypyridine
PubChem CID166436066
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name3-(1,3-dimethylpyrazol-4-yl)-4-methoxypyridine
SMILESCOc1ccncc1-c1cn(C)nc1C
InChIInChI=1S/C11H13N3O/c1-8-10(7-14(2)13-8)9-6-12-5-4-11(9)15-3/h4-7H,1-3H3
InChIKeyAYJFIALUUHIPOY-UHFFFAOYSA-N
XLogP1.80
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxy-3-pyridinyl)-5-methylpyridine
CID 91514165
[5-(1,3-dimethylpyrazol-4-yl)-2-methoxyphenyl]methanamine
CID 66009097
3-(3,4-dimethoxyphenyl)-4-methoxypyridine
CID 71341978
3-(4-fluorophenyl)-4-methoxypyridine
CID 46312990
3-(4-tert-butyl-2,5-dimethoxyphenyl)-4-methoxypyridine
CID 54187127
3-(1,3-dimethylpyrazol-4-yl)-1-(2-methoxyphenyl)pyrazol-4-amine
CID 83208395
5-(4-methoxy-3-pyridinyl)furan-2-carbaldehyde
CID 130565682
3-(1,3-dimethylpyrazol-4-yl)-4-fluoroaniline
CID 104781282
4-methoxypyridine-3-thiolate
CID 156636966
12-methoxy-3-(4-methoxy-3-pyridinyl)-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 42629700
1-ethylsulfonyl-4-(4-methoxy-3-pyridinyl)benzimidazole
CID 56952131
1,3-dimethyl-4-[3-[3-(2-methylphenoxy)propyl]imidazol-4-yl]pyrazole
CID 46980437

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-4-methoxypyridine?
The IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-4-methoxypyridine (CID 166436066) is 3-(1,3-dimethylpyrazol-4-yl)-4-methoxypyridine.
What is the SMILES notation for 3-(1,3-dimethylpyrazol-4-yl)-4-methoxypyridine?
The canonical SMILES for 3-(1,3-dimethylpyrazol-4-yl)-4-methoxypyridine is COc1ccncc1-c1cn(C)nc1C.
What is the InChIKey of 3-(1,3-dimethylpyrazol-4-yl)-4-methoxypyridine?
The InChIKey is AYJFIALUUHIPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8-10(7-14(2)13-8)9-6-12-5-4-11(9)15-3/h4-7H,1-3H3.
What are the key properties of 3-(1,3-dimethylpyrazol-4-yl)-4-methoxypyridine?
3-(1,3-dimethylpyrazol-4-yl)-4-methoxypyridine has a molecular weight of 203.24 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylpyrazol-4-yl)-4-methoxypyridine is sourced from PubChem (CID 166436066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).