4-[[3-(2-chlorophenyl)azetidin-3-yl]methyl]-1-ethylpyrazole

C15H18ClN3 — CID 79460191

IUPAC4-[[3-(2-chlorophenyl)azetidin-3-yl]methyl]-1-ethylpyrazole
SMILESCCn1cc(CC2(c3ccccc3Cl)CNC2)cn1
InChIInChI=1S/C15H18ClN3/c1-2-19-9-12(8-18-19)7-15(10-17-11-15)13-5-3-4-6-14(13)16/h3-6,8-9,17H,2,7,10-11H2,1H3
InChIKeyMNYFDYRVDVXLPS-UHFFFAOYSA-N
MW275.78 g/mol
LogP2.64
Rot. Bonds4

About 4-[[3-(2-chlorophenyl)azetidin-3-yl]methyl]-1-ethylpyrazole

4-[[3-(2-chlorophenyl)azetidin-3-yl]methyl]-1-ethylpyrazole (PubChem CID 79460191) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 4-[[3-(2-chlorophenyl)azetidin-3-yl]methyl]-1-ethylpyrazole.

Molecular Properties

Compound Name4-[[3-(2-chlorophenyl)azetidin-3-yl]methyl]-1-ethylpyrazole
PubChem CID79460191
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name4-[[3-(2-chlorophenyl)azetidin-3-yl]methyl]-1-ethylpyrazole
SMILESCCn1cc(CC2(c3ccccc3Cl)CNC2)cn1
InChIInChI=1S/C15H18ClN3/c1-2-19-9-12(8-18-19)7-15(10-17-11-15)13-5-3-4-6-14(13)16/h3-6,8-9,17H,2,7,10-11H2,1H3
InChIKeyMNYFDYRVDVXLPS-UHFFFAOYSA-N
XLogP2.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4-[(3-methylazetidin-3-yl)methyl]pyrazole
CID 79452025
3-(2-chlorophenyl)-3-[(3,4-dichlorophenyl)methyl]azetidine
CID 79459812
5-[[3-(2-chlorophenyl)azetidin-3-yl]methyl]-1-ethyl-1,2,4-triazole
CID 79461096
1-ethyl-4-[(3-propylazetidin-3-yl)methyl]pyrazole
CID 79452458
1-methyl-4-[(3-phenylazetidin-3-yl)methyl]pyrazole
CID 79451774
3-(2-chlorophenyl)-3-decylazetidine
CID 79460995
4-[2-[3-(2-fluorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole
CID 103019212
(1S)-1-(2-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 81378018
1-[(1-ethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 62740609
1-(2,6-dichlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-2-ol
CID 62125731
3-(2-chlorophenyl)-3-[(2,4-difluorophenyl)methyl]azetidine
CID 79460895
4-[2-[3-(3-chlorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole
CID 103019208

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-chlorophenyl)azetidin-3-yl]methyl]-1-ethylpyrazole?
The IUPAC name of 4-[[3-(2-chlorophenyl)azetidin-3-yl]methyl]-1-ethylpyrazole (CID 79460191) is 4-[[3-(2-chlorophenyl)azetidin-3-yl]methyl]-1-ethylpyrazole.
What is the SMILES notation for 4-[[3-(2-chlorophenyl)azetidin-3-yl]methyl]-1-ethylpyrazole?
The canonical SMILES for 4-[[3-(2-chlorophenyl)azetidin-3-yl]methyl]-1-ethylpyrazole is CCn1cc(CC2(c3ccccc3Cl)CNC2)cn1.
What is the InChIKey of 4-[[3-(2-chlorophenyl)azetidin-3-yl]methyl]-1-ethylpyrazole?
The InChIKey is MNYFDYRVDVXLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-2-19-9-12(8-18-19)7-15(10-17-11-15)13-5-3-4-6-14(13)16/h3-6,8-9,17H,2,7,10-11H2,1H3.
What are the key properties of 4-[[3-(2-chlorophenyl)azetidin-3-yl]methyl]-1-ethylpyrazole?
4-[[3-(2-chlorophenyl)azetidin-3-yl]methyl]-1-ethylpyrazole has a molecular weight of 275.78 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-chlorophenyl)azetidin-3-yl]methyl]-1-ethylpyrazole is sourced from PubChem (CID 79460191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).