1-cyclopentyl-3-[(3-phenylazetidin-3-yl)methyl]pyrazole

C18H23N3 — CID 79451339

IUPAC1-cyclopentyl-3-[(3-phenylazetidin-3-yl)methyl]pyrazole
SMILESc1ccc(C2(Cc3ccn(C4CCCC4)n3)CNC2)cc1
InChIInChI=1S/C18H23N3/c1-2-6-15(7-3-1)18(13-19-14-18)12-16-10-11-21(20-16)17-8-4-5-9-17/h1-3,6-7,10-11,17,19H,4-5,8-9,12-14H2
InChIKeyKHFDWXQRXLAVRX-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.08
Rot. Bonds4

About 1-cyclopentyl-3-[(3-phenylazetidin-3-yl)methyl]pyrazole

1-cyclopentyl-3-[(3-phenylazetidin-3-yl)methyl]pyrazole (PubChem CID 79451339) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(3-phenylazetidin-3-yl)methyl]pyrazole.

Molecular Properties

Compound Name1-cyclopentyl-3-[(3-phenylazetidin-3-yl)methyl]pyrazole
PubChem CID79451339
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name1-cyclopentyl-3-[(3-phenylazetidin-3-yl)methyl]pyrazole
SMILESc1ccc(C2(Cc3ccn(C4CCCC4)n3)CNC2)cc1
InChIInChI=1S/C18H23N3/c1-2-6-15(7-3-1)18(13-19-14-18)12-16-10-11-21(20-16)17-8-4-5-9-17/h1-3,6-7,10-11,17,19H,4-5,8-9,12-14H2
InChIKeyKHFDWXQRXLAVRX-UHFFFAOYSA-N
XLogP3.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 64783654
[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]methanol
CID 66024341
3-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopentylpyrazole
CID 66049323
1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropane-1-carboxylic acid
CID 66026844
3-[(2-bromocycloheptyl)methyl]-1-cyclopentylpyrazole
CID 64778454
1-[(1-cyclohexylpyrazol-3-yl)methyl]piperazine-2,6-dione
CID 66062253
3-[[1-(chloromethyl)cyclobutyl]methyl]-1-cyclohexylpyrazole
CID 66035324
2-(1-cyclopentylpyrazol-3-yl)-1-phenylethanamine
CID 64784526
1-cyclohexyl-3-ethylpyrazole
CID 66014335
1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2,5,5-tetramethylpiperazine
CID 64838373
1-[(1-cyclopentylpyrazol-3-yl)methyl]-2-ethyl-2-methylpiperazine
CID 64845208
(3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410698

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(3-phenylazetidin-3-yl)methyl]pyrazole?
The IUPAC name of 1-cyclopentyl-3-[(3-phenylazetidin-3-yl)methyl]pyrazole (CID 79451339) is 1-cyclopentyl-3-[(3-phenylazetidin-3-yl)methyl]pyrazole.
What is the SMILES notation for 1-cyclopentyl-3-[(3-phenylazetidin-3-yl)methyl]pyrazole?
The canonical SMILES for 1-cyclopentyl-3-[(3-phenylazetidin-3-yl)methyl]pyrazole is c1ccc(C2(Cc3ccn(C4CCCC4)n3)CNC2)cc1.
What is the InChIKey of 1-cyclopentyl-3-[(3-phenylazetidin-3-yl)methyl]pyrazole?
The InChIKey is KHFDWXQRXLAVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-2-6-15(7-3-1)18(13-19-14-18)12-16-10-11-21(20-16)17-8-4-5-9-17/h1-3,6-7,10-11,17,19H,4-5,8-9,12-14H2.
What are the key properties of 1-cyclopentyl-3-[(3-phenylazetidin-3-yl)methyl]pyrazole?
1-cyclopentyl-3-[(3-phenylazetidin-3-yl)methyl]pyrazole has a molecular weight of 281.40 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(3-phenylazetidin-3-yl)methyl]pyrazole is sourced from PubChem (CID 79451339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).