5-[(3-bromophenyl)methoxy]-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine

C20H20BrN3O2 — CID 130360847

IUPAC5-[(3-bromophenyl)methoxy]-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine
SMILESBrc1cccc(COc2ccc(-c3ccnn3C3CCCCO3)nc2)c1
InChIInChI=1S/C20H20BrN3O2/c21-16-5-3-4-15(12-16)14-26-17-7-8-18(22-13-17)19-9-10-23-24(19)20-6-1-2-11-25-20/h3-5,7-10,12-13,20H,1-2,6,11,14H2
InChIKeyRLXZJHCXYBBHKI-UHFFFAOYSA-N
MW414.30 g/mol
LogP4.99
Rot. Bonds5

About 5-[(3-bromophenyl)methoxy]-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine

5-[(3-bromophenyl)methoxy]-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine (PubChem CID 130360847) has the molecular formula C20H20BrN3O2 and a molecular weight of 414.30 g/mol. Its IUPAC name is 5-[(3-bromophenyl)methoxy]-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name5-[(3-bromophenyl)methoxy]-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine
PubChem CID130360847
Molecular FormulaC20H20BrN3O2
Molecular Weight414.30 g/mol
Exact Mass413.07
IUPAC Name5-[(3-bromophenyl)methoxy]-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine
SMILESBrc1cccc(COc2ccc(-c3ccnn3C3CCCCO3)nc2)c1
InChIInChI=1S/C20H20BrN3O2/c21-16-5-3-4-15(12-16)14-26-17-7-8-18(22-13-17)19-9-10-23-24(19)20-6-1-2-11-25-20/h3-5,7-10,12-13,20H,1-2,6,11,14H2
InChIKeyRLXZJHCXYBBHKI-UHFFFAOYSA-N
XLogP4.99
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.30
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]acetate
CID 142527037
2-methyl-5-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenol
CID 142526925
5-[2-[2-(3-bromophenyl)-1,3-dioxolan-2-yl]ethoxy]-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine
CID 155658227
4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]benzaldehyde
CID 142526728
5-ethoxy-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine
CID 130360539
ethyl 1-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]piperidine-4-carboxylate
CID 142526883
1-[4-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]-4-trimethylsilyloxypiperidin-1-yl]ethanone
CID 142526656
N,N-dimethyl-4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]benzenesulfonamide
CID 137364312
4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]butan-1-amine
CID 142526707
tert-butyl 2-[4-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]pyrazol-1-yl]acetate
CID 142526850
(E)-3-[2-fluoro-3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]prop-2-enoic acid
CID 146658407
3-amino-1-[(3R)-3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]piperidin-1-yl]propan-1-one
CID 130360188

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromophenyl)methoxy]-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine?
The IUPAC name of 5-[(3-bromophenyl)methoxy]-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine (CID 130360847) is 5-[(3-bromophenyl)methoxy]-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine.
What is the SMILES notation for 5-[(3-bromophenyl)methoxy]-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine?
The canonical SMILES for 5-[(3-bromophenyl)methoxy]-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine is Brc1cccc(COc2ccc(-c3ccnn3C3CCCCO3)nc2)c1.
What is the InChIKey of 5-[(3-bromophenyl)methoxy]-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine?
The InChIKey is RLXZJHCXYBBHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O2/c21-16-5-3-4-15(12-16)14-26-17-7-8-18(22-13-17)19-9-10-23-24(19)20-6-1-2-11-25-20/h3-5,7-10,12-13,20H,1-2,6,11,14H2.
What are the key properties of 5-[(3-bromophenyl)methoxy]-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine?
5-[(3-bromophenyl)methoxy]-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine has a molecular weight of 414.30 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromophenyl)methoxy]-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine is sourced from PubChem (CID 130360847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).