4-[[3-(2-methoxyphenoxy)azetidin-1-yl]methyl]-1-phenylpyrazole

C20H21N3O2 — CID 56915280

IUPAC4-[[3-(2-methoxyphenoxy)azetidin-1-yl]methyl]-1-phenylpyrazole
SMILESCOc1ccccc1OC1CN(Cc2cnn(-c3ccccc3)c2)C1
InChIInChI=1S/C20H21N3O2/c1-24-19-9-5-6-10-20(19)25-18-14-22(15-18)12-16-11-21-23(13-16)17-7-3-2-4-8-17/h2-11,13,18H,12,14-15H2,1H3
InChIKeyZUNYSQABDHDGOI-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.14
Rot. Bonds6

About 4-[[3-(2-methoxyphenoxy)azetidin-1-yl]methyl]-1-phenylpyrazole

4-[[3-(2-methoxyphenoxy)azetidin-1-yl]methyl]-1-phenylpyrazole (PubChem CID 56915280) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-[[3-(2-methoxyphenoxy)azetidin-1-yl]methyl]-1-phenylpyrazole.

Molecular Properties

Compound Name4-[[3-(2-methoxyphenoxy)azetidin-1-yl]methyl]-1-phenylpyrazole
PubChem CID56915280
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name4-[[3-(2-methoxyphenoxy)azetidin-1-yl]methyl]-1-phenylpyrazole
SMILESCOc1ccccc1OC1CN(Cc2cnn(-c3ccccc3)c2)C1
InChIInChI=1S/C20H21N3O2/c1-24-19-9-5-6-10-20(19)25-18-14-22(15-18)12-16-11-21-23(13-16)17-7-3-2-4-8-17/h2-11,13,18H,12,14-15H2,1H3
InChIKeyZUNYSQABDHDGOI-UHFFFAOYSA-N
XLogP3.14
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-methoxy-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3-azabicyclo[3.2.1]octane
CID 156609533
1-[[4-(difluoromethoxy)phenyl]methyl]-3-(2-methoxyphenoxy)azetidine
CID 56886222
N-[1-(2-methoxyphenyl)ethyl]-2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 71932804
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 97089117
N-methyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine;hydrochloride
CID 119923189
4-[[(S)-(2-methoxyphenyl)sulfinyl]methyl]-1-phenylpyrazole
CID 97000917
(3S,4S)-1-[(1-phenylpyrazol-4-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120942837
3-ethyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine
CID 81450320
2-[1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115648302
3-[(1-phenylpyrazol-4-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927302
2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]acetic acid
CID 119135361
N-(cyclopropylmethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine;hydrochloride
CID 119926338

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-methoxyphenoxy)azetidin-1-yl]methyl]-1-phenylpyrazole?
The IUPAC name of 4-[[3-(2-methoxyphenoxy)azetidin-1-yl]methyl]-1-phenylpyrazole (CID 56915280) is 4-[[3-(2-methoxyphenoxy)azetidin-1-yl]methyl]-1-phenylpyrazole.
What is the SMILES notation for 4-[[3-(2-methoxyphenoxy)azetidin-1-yl]methyl]-1-phenylpyrazole?
The canonical SMILES for 4-[[3-(2-methoxyphenoxy)azetidin-1-yl]methyl]-1-phenylpyrazole is COc1ccccc1OC1CN(Cc2cnn(-c3ccccc3)c2)C1.
What is the InChIKey of 4-[[3-(2-methoxyphenoxy)azetidin-1-yl]methyl]-1-phenylpyrazole?
The InChIKey is ZUNYSQABDHDGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-24-19-9-5-6-10-20(19)25-18-14-22(15-18)12-16-11-21-23(13-16)17-7-3-2-4-8-17/h2-11,13,18H,12,14-15H2,1H3.
What are the key properties of 4-[[3-(2-methoxyphenoxy)azetidin-1-yl]methyl]-1-phenylpyrazole?
4-[[3-(2-methoxyphenoxy)azetidin-1-yl]methyl]-1-phenylpyrazole has a molecular weight of 335.41 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-methoxyphenoxy)azetidin-1-yl]methyl]-1-phenylpyrazole is sourced from PubChem (CID 56915280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).