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

C16H23F2N3O — CID 123649991

IUPAC1-(3,3-difluorocyclopentyl)-3-ethyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole
SMILESCCc1cc(C2CN(C3COC3)C2)n(C2CCC(F)(F)C2)n1
InChIInChI=1S/C16H23F2N3O/c1-2-12-5-15(11-7-20(8-11)14-9-22-10-14)21(19-12)13-3-4-16(17,18)6-13/h5,11,13-14H,2-4,6-10H2,1H3
InChIKeyPQOPKVPTYJLSJA-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.60
Rot. Bonds4

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

1-(3,3-difluorocyclopentyl)-3-ethyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole (PubChem CID 123649991) has the molecular formula C16H23F2N3O and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-(3,3-difluorocyclopentyl)-3-ethyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole.

Molecular Properties

Compound Name1-(3,3-difluorocyclopentyl)-3-ethyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole
PubChem CID123649991
Molecular FormulaC16H23F2N3O
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Name1-(3,3-difluorocyclopentyl)-3-ethyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole
SMILESCCc1cc(C2CN(C3COC3)C2)n(C2CCC(F)(F)C2)n1
InChIInChI=1S/C16H23F2N3O/c1-2-12-5-15(11-7-20(8-11)14-9-22-10-14)21(19-12)13-3-4-16(17,18)6-13/h5,11,13-14H,2-4,6-10H2,1H3
InChIKeyPQOPKVPTYJLSJA-UHFFFAOYSA-N
XLogP2.60
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclopentyl)-3-ethyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole?
The IUPAC name of 1-(3,3-difluorocyclopentyl)-3-ethyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole (CID 123649991) is 1-(3,3-difluorocyclopentyl)-3-ethyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole.
What is the SMILES notation for 1-(3,3-difluorocyclopentyl)-3-ethyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole?
The canonical SMILES for 1-(3,3-difluorocyclopentyl)-3-ethyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole is CCc1cc(C2CN(C3COC3)C2)n(C2CCC(F)(F)C2)n1.
What is the InChIKey of 1-(3,3-difluorocyclopentyl)-3-ethyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole?
The InChIKey is PQOPKVPTYJLSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O/c1-2-12-5-15(11-7-20(8-11)14-9-22-10-14)21(19-12)13-3-4-16(17,18)6-13/h5,11,13-14H,2-4,6-10H2,1H3.
What are the key properties of 1-(3,3-difluorocyclopentyl)-3-ethyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole?
1-(3,3-difluorocyclopentyl)-3-ethyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole has a molecular weight of 311.38 g/mol, XLogP of 2.60, 4 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-ethyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole is sourced from PubChem (CID 123649991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).