3,4-dimethoxy-2-(pyrazol-1-ylmethyl)pyridine

C11H13N3O2 — CID 103174085

IUPAC3,4-dimethoxy-2-(pyrazol-1-ylmethyl)pyridine
SMILESCOc1ccnc(Cn2cccn2)c1OC
InChIInChI=1S/C11H13N3O2/c1-15-10-4-6-12-9(11(10)16-2)8-14-7-3-5-13-14/h3-7H,8H2,1-2H3
InChIKeyHKHXABJVTMQAGP-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.34
Rot. Bonds4

About 3,4-dimethoxy-2-(pyrazol-1-ylmethyl)pyridine

3,4-dimethoxy-2-(pyrazol-1-ylmethyl)pyridine (PubChem CID 103174085) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3,4-dimethoxy-2-(pyrazol-1-ylmethyl)pyridine.

Molecular Properties

Compound Name3,4-dimethoxy-2-(pyrazol-1-ylmethyl)pyridine
PubChem CID103174085
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3,4-dimethoxy-2-(pyrazol-1-ylmethyl)pyridine
SMILESCOc1ccnc(Cn2cccn2)c1OC
InChIInChI=1S/C11H13N3O2/c1-15-10-4-6-12-9(11(10)16-2)8-14-7-3-5-13-14/h3-7H,8H2,1-2H3
InChIKeyHKHXABJVTMQAGP-UHFFFAOYSA-N
XLogP1.34
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]triazol-4-yl]propan-1-amine
CID 106227854
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpyridin-2-one
CID 103174116
3-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-ethylpyrimidine-2,4-dione
CID 103174083
2-(chloromethyl)-3,4-dimethoxypyridine
CID 5079722
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-ethylpiperazine-2,3-dione
CID 72930183
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-fluoroindole
CID 103174105
1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-ol
CID 103173821
2-benzyl-3,4-dimethoxypyridine
CID 141149610
N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 103173671
1-[[2,3,4,5,6-pentakis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole
CID 15190545
1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine
CID 103172527
2-[2-[(3,4-dimethoxy-2-pyridinyl)methylsulfanyl]ethylsulfanylmethyl]-3,4-dimethoxypyridine
CID 176896429

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-2-(pyrazol-1-ylmethyl)pyridine?
The IUPAC name of 3,4-dimethoxy-2-(pyrazol-1-ylmethyl)pyridine (CID 103174085) is 3,4-dimethoxy-2-(pyrazol-1-ylmethyl)pyridine.
What is the SMILES notation for 3,4-dimethoxy-2-(pyrazol-1-ylmethyl)pyridine?
The canonical SMILES for 3,4-dimethoxy-2-(pyrazol-1-ylmethyl)pyridine is COc1ccnc(Cn2cccn2)c1OC.
What is the InChIKey of 3,4-dimethoxy-2-(pyrazol-1-ylmethyl)pyridine?
The InChIKey is HKHXABJVTMQAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-15-10-4-6-12-9(11(10)16-2)8-14-7-3-5-13-14/h3-7H,8H2,1-2H3.
What are the key properties of 3,4-dimethoxy-2-(pyrazol-1-ylmethyl)pyridine?
3,4-dimethoxy-2-(pyrazol-1-ylmethyl)pyridine has a molecular weight of 219.24 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-2-(pyrazol-1-ylmethyl)pyridine is sourced from PubChem (CID 103174085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).