3-(5-chloro-2-methoxyphenyl)-1-[2-(3-fluoroazetidin-1-yl)ethyl]pyrazole

C15H17ClFN3O — CID 141405326

IUPAC3-(5-chloro-2-methoxyphenyl)-1-[2-(3-fluoroazetidin-1-yl)ethyl]pyrazole
SMILESCOc1ccc(Cl)cc1-c1ccn(CCN2CC(F)C2)n1
InChIInChI=1S/C15H17ClFN3O/c1-21-15-3-2-11(16)8-13(15)14-4-5-20(18-14)7-6-19-9-12(17)10-19/h2-5,8,12H,6-7,9-10H2,1H3
InChIKeyFCIHKEIXTDWRGD-UHFFFAOYSA-N
MW309.77 g/mol
LogP2.87
Rot. Bonds5

About 3-(5-chloro-2-methoxyphenyl)-1-[2-(3-fluoroazetidin-1-yl)ethyl]pyrazole

3-(5-chloro-2-methoxyphenyl)-1-[2-(3-fluoroazetidin-1-yl)ethyl]pyrazole (PubChem CID 141405326) has the molecular formula C15H17ClFN3O and a molecular weight of 309.77 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-1-[2-(3-fluoroazetidin-1-yl)ethyl]pyrazole.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)-1-[2-(3-fluoroazetidin-1-yl)ethyl]pyrazole
PubChem CID141405326
Molecular FormulaC15H17ClFN3O
Molecular Weight309.77 g/mol
Exact Mass309.10
IUPAC Name3-(5-chloro-2-methoxyphenyl)-1-[2-(3-fluoroazetidin-1-yl)ethyl]pyrazole
SMILESCOc1ccc(Cl)cc1-c1ccn(CCN2CC(F)C2)n1
InChIInChI=1S/C15H17ClFN3O/c1-21-15-3-2-11(16)8-13(15)14-4-5-20(18-14)7-6-19-9-12(17)10-19/h2-5,8,12H,6-7,9-10H2,1H3
InChIKeyFCIHKEIXTDWRGD-UHFFFAOYSA-N
XLogP2.87
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-Methoxyphenyl)-1-methyl-1H-pyrazole
CID 21722232
1-[(5-Chloro-2-methoxyphenyl)methyl]-4-(4-methoxyphenyl)triazole
CID 172466173
1-[(5-Chloro-2-propoxyphenyl)methyl]-4-phenyltriazole
CID 172468403
(5-chloro-2-methoxybenzyl)[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]ethylamine
CID 46999917
1-[1-[(5-Chloro-2-methoxyphenyl)methyl]azetidin-3-yl]pyrazole
CID 53583184
1-[1-[(3-Fluoro-4-methoxyphenyl)methyl]azetidin-3-yl]pyrazole
CID 53607169
3-(2-Methoxy-5-prop-2-enylphenyl)-1-prop-2-enylpyrazole
CID 155520549
1-[(5-Chloro-2-propoxyphenyl)methyl]-4-(4-fluorophenyl)triazole
CID 177381444
6-Chloro-3-methyl-9-(pyrazol-1-ylmethoxy)-1,2,4,5-tetrahydro-3-benzazepine
CID 19040637
((2-methoxyphenyl)methyl)((1-methyl-1H-pyrazol-5-yl)methyl)amine dihydrochloride
CID 137943433
3-{2-[(4-chlorobenzyl)oxy]phenyl}-1-(4-fluorobenzyl)-1H-pyrazole
CID 3435206
1-(4-chlorobenzyl)-3-{2-[(4-fluorobenzyl)oxy]phenyl}-1H-pyrazole
CID 3755883

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-1-[2-(3-fluoroazetidin-1-yl)ethyl]pyrazole?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-1-[2-(3-fluoroazetidin-1-yl)ethyl]pyrazole (CID 141405326) is 3-(5-chloro-2-methoxyphenyl)-1-[2-(3-fluoroazetidin-1-yl)ethyl]pyrazole.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-1-[2-(3-fluoroazetidin-1-yl)ethyl]pyrazole?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-1-[2-(3-fluoroazetidin-1-yl)ethyl]pyrazole is COc1ccc(Cl)cc1-c1ccn(CCN2CC(F)C2)n1.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-1-[2-(3-fluoroazetidin-1-yl)ethyl]pyrazole?
The InChIKey is FCIHKEIXTDWRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3O/c1-21-15-3-2-11(16)8-13(15)14-4-5-20(18-14)7-6-19-9-12(17)10-19/h2-5,8,12H,6-7,9-10H2,1H3.
What are the key properties of 3-(5-chloro-2-methoxyphenyl)-1-[2-(3-fluoroazetidin-1-yl)ethyl]pyrazole?
3-(5-chloro-2-methoxyphenyl)-1-[2-(3-fluoroazetidin-1-yl)ethyl]pyrazole has a molecular weight of 309.77 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)-1-[2-(3-fluoroazetidin-1-yl)ethyl]pyrazole is sourced from PubChem (CID 141405326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).