4-chloro-1-[2-[2-(3-methoxyphenyl)azetidin-1-yl]ethyl]pyrazole

C15H18ClN3O — CID 91839644

IUPAC4-chloro-1-[2-[2-(3-methoxyphenyl)azetidin-1-yl]ethyl]pyrazole
SMILESCOc1cccc(C2CCN2CCn2cc(Cl)cn2)c1
InChIInChI=1S/C15H18ClN3O/c1-20-14-4-2-3-12(9-14)15-5-6-18(15)7-8-19-11-13(16)10-17-19/h2-4,9-11,15H,5-8H2,1H3
InChIKeyVUIVFQVDAYXJCJ-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.99
Rot. Bonds5

About 4-chloro-1-[2-[2-(3-methoxyphenyl)azetidin-1-yl]ethyl]pyrazole

4-chloro-1-[2-[2-(3-methoxyphenyl)azetidin-1-yl]ethyl]pyrazole (PubChem CID 91839644) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 4-chloro-1-[2-[2-(3-methoxyphenyl)azetidin-1-yl]ethyl]pyrazole.

Molecular Properties

Compound Name4-chloro-1-[2-[2-(3-methoxyphenyl)azetidin-1-yl]ethyl]pyrazole
PubChem CID91839644
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name4-chloro-1-[2-[2-(3-methoxyphenyl)azetidin-1-yl]ethyl]pyrazole
SMILESCOc1cccc(C2CCN2CCn2cc(Cl)cn2)c1
InChIInChI=1S/C15H18ClN3O/c1-20-14-4-2-3-12(9-14)15-5-6-18(15)7-8-19-11-13(16)10-17-19/h2-4,9-11,15H,5-8H2,1H3
InChIKeyVUIVFQVDAYXJCJ-UHFFFAOYSA-N
XLogP2.99
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(3-methoxyphenyl)azetidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine
CID 77087919
4-chloro-1-[2-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]pyrazole
CID 135110123
2-(4-chloropyrazol-1-yl)-1-(3-methoxyphenyl)ethanone
CID 54909682
1-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethyl]piperidin-4-ol
CID 45242464
(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine
CID 95154091
2-[[2-(3-methoxyphenyl)azetidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 91829934
3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propanoic acid
CID 124688481
1-(cyclopropylmethyl)-2-(3-methoxyphenyl)pyrrolidine
CID 23361278
2-[2-(3-methoxyphenyl)azetidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 91834753
(3R,5S)-5-(3-methoxyphenyl)-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-ol
CID 100736446
3-[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]propanoic acid
CID 95716440
1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 167793030

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[2-[2-(3-methoxyphenyl)azetidin-1-yl]ethyl]pyrazole?
The IUPAC name of 4-chloro-1-[2-[2-(3-methoxyphenyl)azetidin-1-yl]ethyl]pyrazole (CID 91839644) is 4-chloro-1-[2-[2-(3-methoxyphenyl)azetidin-1-yl]ethyl]pyrazole.
What is the SMILES notation for 4-chloro-1-[2-[2-(3-methoxyphenyl)azetidin-1-yl]ethyl]pyrazole?
The canonical SMILES for 4-chloro-1-[2-[2-(3-methoxyphenyl)azetidin-1-yl]ethyl]pyrazole is COc1cccc(C2CCN2CCn2cc(Cl)cn2)c1.
What is the InChIKey of 4-chloro-1-[2-[2-(3-methoxyphenyl)azetidin-1-yl]ethyl]pyrazole?
The InChIKey is VUIVFQVDAYXJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-20-14-4-2-3-12(9-14)15-5-6-18(15)7-8-19-11-13(16)10-17-19/h2-4,9-11,15H,5-8H2,1H3.
What are the key properties of 4-chloro-1-[2-[2-(3-methoxyphenyl)azetidin-1-yl]ethyl]pyrazole?
4-chloro-1-[2-[2-(3-methoxyphenyl)azetidin-1-yl]ethyl]pyrazole has a molecular weight of 291.78 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[2-[2-(3-methoxyphenyl)azetidin-1-yl]ethyl]pyrazole is sourced from PubChem (CID 91839644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).