5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxypyridine

C11H13N3O — CID 56701368

IUPAC5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxypyridine
SMILESCOc1ccc(-c2c(C)n[nH]c2C)cn1
InChIInChI=1S/C11H13N3O/c1-7-11(8(2)14-13-7)9-4-5-10(15-3)12-6-9/h4-6H,1-3H3,(H,13,14)
InChIKeyAYAVXBPVGHNFPD-UHFFFAOYSA-N
MW203.25 g/mol
LogP2.10
Rot. Bonds2

About 5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxypyridine

5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxypyridine (PubChem CID 56701368) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxypyridine.

Molecular Properties

Compound Name5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxypyridine
PubChem CID56701368
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxypyridine
SMILESCOc1ccc(-c2c(C)n[nH]c2C)cn1
InChIInChI=1S/C11H13N3O/c1-7-11(8(2)14-13-7)9-4-5-10(15-3)12-6-9/h4-6H,1-3H3,(H,13,14)
InChIKeyAYAVXBPVGHNFPD-UHFFFAOYSA-N
XLogP2.10
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxypyridine?
The IUPAC name of 5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxypyridine (CID 56701368) is 5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxypyridine.
What is the SMILES notation for 5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxypyridine?
The canonical SMILES for 5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxypyridine is COc1ccc(-c2c(C)n[nH]c2C)cn1.
What is the InChIKey of 5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxypyridine?
The InChIKey is AYAVXBPVGHNFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-7-11(8(2)14-13-7)9-4-5-10(15-3)12-6-9/h4-6H,1-3H3,(H,13,14).
What are the key properties of 5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxypyridine?
5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxypyridine has a molecular weight of 203.25 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxypyridine is sourced from PubChem (CID 56701368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).