4-[3-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine

C19H20N4O — CID 154881328

IUPAC4-[3-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine
SMILESCn1cc(CN2CC2COc2cccc(-c3ccncc3)c2)cn1
InChIInChI=1S/C19H20N4O/c1-22-11-15(10-21-22)12-23-13-18(23)14-24-19-4-2-3-17(9-19)16-5-7-20-8-6-16/h2-11,18H,12-14H2,1H3
InChIKeyBUYCATXQTWNKJJ-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.75
Rot. Bonds6

About 4-[3-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine

4-[3-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine (PubChem CID 154881328) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 4-[3-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine.

Molecular Properties

Compound Name4-[3-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine
PubChem CID154881328
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name4-[3-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine
SMILESCn1cc(CN2CC2COc2cccc(-c3ccncc3)c2)cn1
InChIInChI=1S/C19H20N4O/c1-22-11-15(10-21-22)12-23-13-18(23)14-24-19-4-2-3-17(9-19)16-5-7-20-8-6-16/h2-11,18H,12-14H2,1H3
InChIKeyBUYCATXQTWNKJJ-UHFFFAOYSA-N
XLogP2.75
TPSA42.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-methyl-3-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine
CID 154880789
2-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenoxy]pyrazine
CID 154881106
3-[2-fluoro-3-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine
CID 154881104
8-chloro-3-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]quinoline
CID 154880095
methyl 3-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]naphthalene-2-carboxylate
CID 154880799
(4-methylpiperazin-1-yl)-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]methanone
CID 154880845
1-benzyl-2-[(3-chlorophenoxy)methyl]aziridine
CID 86236377
4-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]oxypyridine
CID 154830506
4-[4-[[1-(2-methylpropyl)aziridin-2-yl]methoxy]phenyl]pyridine
CID 154880827
1-methyl-4-[3-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]pyrazole
CID 91112359
5-(phenoxymethyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 18538363
4-[(3-bromophenoxy)methyl]-1-methylpyrazole
CID 28782443

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine?
The IUPAC name of 4-[3-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine (CID 154881328) is 4-[3-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine.
What is the SMILES notation for 4-[3-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine?
The canonical SMILES for 4-[3-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine is Cn1cc(CN2CC2COc2cccc(-c3ccncc3)c2)cn1.
What is the InChIKey of 4-[3-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine?
The InChIKey is BUYCATXQTWNKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-22-11-15(10-21-22)12-23-13-18(23)14-24-19-4-2-3-17(9-19)16-5-7-20-8-6-16/h2-11,18H,12-14H2,1H3.
What are the key properties of 4-[3-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine?
4-[3-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine has a molecular weight of 320.40 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine is sourced from PubChem (CID 154881328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).