1-(3,3-difluorocyclopentyl)-3-methyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole

C15H21F2N3O — CID 126489528

IUPAC1-(3,3-difluorocyclopentyl)-3-methyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole
SMILESCc1cc(C2CN(C3COC3)C2)n(C2CCC(F)(F)C2)n1
InChIInChI=1S/C15H21F2N3O/c1-10-4-14(11-6-19(7-11)13-8-21-9-13)20(18-10)12-2-3-15(16,17)5-12/h4,11-13H,2-3,5-9H2,1H3
InChIKeyORNMFSOBHWNYKM-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.35
Rot. Bonds3

About 1-(3,3-difluorocyclopentyl)-3-methyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole

1-(3,3-difluorocyclopentyl)-3-methyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole (PubChem CID 126489528) has the molecular formula C15H21F2N3O and a molecular weight of 297.35 g/mol. Its IUPAC name is 1-(3,3-difluorocyclopentyl)-3-methyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole.

Molecular Properties

Compound Name1-(3,3-difluorocyclopentyl)-3-methyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole
PubChem CID126489528
Molecular FormulaC15H21F2N3O
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC Name1-(3,3-difluorocyclopentyl)-3-methyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole
SMILESCc1cc(C2CN(C3COC3)C2)n(C2CCC(F)(F)C2)n1
InChIInChI=1S/C15H21F2N3O/c1-10-4-14(11-6-19(7-11)13-8-21-9-13)20(18-10)12-2-3-15(16,17)5-12/h4,11-13H,2-3,5-9H2,1H3
InChIKeyORNMFSOBHWNYKM-UHFFFAOYSA-N
XLogP2.35
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,3-difluorocyclopentyl)-3-methyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole with MolForge

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Related Compounds

N-ethyl-N-[(3-isobutyl-1-methyl-1H-pyrazol-5-yl)methyl]-2-methoxyethanamine
CID 50982267
5-cyclopropyl-3-(difluoromethyl)-1-[(3S)-oxan-3-yl]pyrazole
CID 164630170
5-[(3,3-Difluoroazetidin-1-yl)methyl]-1-methyl-3-propan-2-ylpyrazole
CID 89831185
1-(3,3-difluorocyclopentyl)-3-iodo-5-(1-(oxetan-3-yl)azetidin-3-yl)-1H-pyrazole
CID 90292762
4-(1-(3,3-difluorocyclopentyl)-3-iodo-1H-pyrazol-5-yl)-1-(oxetan-3-yl)piperidine
CID 90292789
5-Ethyl-1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazole
CID 118464187
2-(5-isopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethan-1-ol
CID 121211723
5-Methyl-1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazole
CID 122633586
4-[2-(3,3-Difluorocyclopentyl)-5-methylpyrazol-3-yl]-1-(oxetan-3-yl)piperidine
CID 123519965
1-(3,3-Difluorocyclopentyl)-3-ethyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole
CID 123649991
Tert-butyl 3-[2-(3,3-difluorocyclopentyl)-5-methylpyrazol-3-yl]azetidine-1-carboxylate
CID 126489454
5-(Azetidin-3-yl)-1-(3,3-difluorocyclopentyl)-3-methylpyrazole
CID 126489480

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclopentyl)-3-methyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole?
The IUPAC name of 1-(3,3-difluorocyclopentyl)-3-methyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole (CID 126489528) is 1-(3,3-difluorocyclopentyl)-3-methyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole.
What is the SMILES notation for 1-(3,3-difluorocyclopentyl)-3-methyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole?
The canonical SMILES for 1-(3,3-difluorocyclopentyl)-3-methyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole is Cc1cc(C2CN(C3COC3)C2)n(C2CCC(F)(F)C2)n1.
What is the InChIKey of 1-(3,3-difluorocyclopentyl)-3-methyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole?
The InChIKey is ORNMFSOBHWNYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O/c1-10-4-14(11-6-19(7-11)13-8-21-9-13)20(18-10)12-2-3-15(16,17)5-12/h4,11-13H,2-3,5-9H2,1H3.
What are the key properties of 1-(3,3-difluorocyclopentyl)-3-methyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole?
1-(3,3-difluorocyclopentyl)-3-methyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole has a molecular weight of 297.35 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclopentyl)-3-methyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole is sourced from PubChem (CID 126489528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).