4-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]oxypyridine

C13H16N4O — CID 154830506

IUPAC4-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]oxypyridine
SMILESCn1cc(CN2CC(Oc3ccncc3)C2)cn1
InChIInChI=1S/C13H16N4O/c1-16-7-11(6-15-16)8-17-9-13(10-17)18-12-2-4-14-5-3-12/h2-7,13H,8-10H2,1H3
InChIKeyBPDOKMIQMPZVLE-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.08
Rot. Bonds4

About 4-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]oxypyridine

4-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]oxypyridine (PubChem CID 154830506) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]oxypyridine.

Molecular Properties

Compound Name4-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]oxypyridine
PubChem CID154830506
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]oxypyridine
SMILESCn1cc(CN2CC(Oc3ccncc3)C2)cn1
InChIInChI=1S/C13H16N4O/c1-16-7-11(6-15-16)8-17-9-13(10-17)18-12-2-4-14-5-3-12/h2-7,13H,8-10H2,1H3
InChIKeyBPDOKMIQMPZVLE-UHFFFAOYSA-N
XLogP1.08
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6R)-4-[(1-methylpyrazol-4-yl)methyl]-6-phenoxy-1,4-oxazepane
CID 75367720
4-[1-[(3-chlorophenyl)methyl]azetidin-3-yl]oxypyridine
CID 163353082
1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-ol
CID 63282120
(4R,4aR,7aR)-4-methoxy-1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-4-ylmethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 125187425
N-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]isoquinolin-6-amine
CID 59290603
4-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-yl]oxypyridine
CID 155800422
(2S,3S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 97384267
(3aR,4S,7aS)-N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 97458264
(3aR,6aS)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120660803
(3R,4R)-4-(3-fluorophenoxy)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 175654918
4-[(3S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]oxypyridine
CID 97236462
(8R)-2-[(1-methylpyrazol-4-yl)methyl]-8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 124815516

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]oxypyridine?
The IUPAC name of 4-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]oxypyridine (CID 154830506) is 4-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]oxypyridine.
What is the SMILES notation for 4-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]oxypyridine?
The canonical SMILES for 4-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]oxypyridine is Cn1cc(CN2CC(Oc3ccncc3)C2)cn1.
What is the InChIKey of 4-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]oxypyridine?
The InChIKey is BPDOKMIQMPZVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-16-7-11(6-15-16)8-17-9-13(10-17)18-12-2-4-14-5-3-12/h2-7,13H,8-10H2,1H3.
What are the key properties of 4-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]oxypyridine?
4-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]oxypyridine has a molecular weight of 244.30 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]oxypyridine is sourced from PubChem (CID 154830506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).