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

9-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]-2,3,4,5-Tetrahydropyrido[2,3-F][1,4]oxazepine
CID 57382553
Jnj-42259152
CID 51353528
1-Methyl-4-(4-{4-[3-(2-Methylpropoxy)pyridin-4-Yl]-1h-Pyrazol-1-Yl}phenyl)piperazine
CID 119058125
3-((4-(1-methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl)phenoxy)methyl)isoquinoline
CID 53322495
3-[4-(2-Pyrrolidin-1-yl-ethoxy)-benzyl]-pyridine
CID 10636647
dimethyl-{2-[(4-{4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]-2-pyridinyl}phenyl)oxy]ethyl}amine
CID 11682470
2-[4-(3-Piperidin-1-yl-propoxy)-phenyl]-pyrazolo[1,5-a]pyridine
CID 44215412
2-(4-(2-(4-(dimethylamino)phenyl)pyridin-4-yl)-5-(3-methoxy-5-methylphenyl)-1H-pyrazol-1-yl)acetonitrile
CID 45482631
2-[4-[2-[4-(Dimethylamino)phenyl]-4-pyridinyl]-3-(3-methoxy-5-methylphenyl)pyrazol-1-yl]acetonitrile
CID 45483003
2-Ethoxy-6-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine
CID 53465400
2-[[4-[1-(2-Fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-3,4,5-trimethylpyridine
CID 53465404
2-[[4-[1-(2-Fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methylpyridine
CID 53466372

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).