3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]oxy]cyclopentan-1-ol

C14H14ClF2N3O2 — CID 167425959

IUPAC3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]oxy]cyclopentan-1-ol
SMILESOC1CCC(Oc2cc(Cl)ncc2-c2ccn(C(F)F)n2)C1
InChIInChI=1S/C14H14ClF2N3O2/c15-13-6-12(22-9-2-1-8(21)5-9)10(7-18-13)11-3-4-20(19-11)14(16)17/h3-4,6-9,14,21H,1-2,5H2
InChIKeySDAQYNZNTDSROJ-UHFFFAOYSA-N
MW329.73 g/mol
LogP3.29
Rot. Bonds4

About 3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]oxy]cyclopentan-1-ol

3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]oxy]cyclopentan-1-ol (PubChem CID 167425959) has the molecular formula C14H14ClF2N3O2 and a molecular weight of 329.73 g/mol. Its IUPAC name is 3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]oxy]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]oxy]cyclopentan-1-ol
PubChem CID167425959
Molecular FormulaC14H14ClF2N3O2
Molecular Weight329.73 g/mol
Exact Mass329.07
IUPAC Name3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]oxy]cyclopentan-1-ol
SMILESOC1CCC(Oc2cc(Cl)ncc2-c2ccn(C(F)F)n2)C1
InChIInChI=1S/C14H14ClF2N3O2/c15-13-6-12(22-9-2-1-8(21)5-9)10(7-18-13)11-3-4-20(19-11)14(16)17/h3-4,6-9,14,21H,1-2,5H2
InChIKeySDAQYNZNTDSROJ-UHFFFAOYSA-N
XLogP3.29
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.73
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]oxy]cyclopentan-1-ol?
The IUPAC name of 3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]oxy]cyclopentan-1-ol (CID 167425959) is 3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]oxy]cyclopentan-1-ol.
What is the SMILES notation for 3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]oxy]cyclopentan-1-ol?
The canonical SMILES for 3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]oxy]cyclopentan-1-ol is OC1CCC(Oc2cc(Cl)ncc2-c2ccn(C(F)F)n2)C1.
What is the InChIKey of 3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]oxy]cyclopentan-1-ol?
The InChIKey is SDAQYNZNTDSROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF2N3O2/c15-13-6-12(22-9-2-1-8(21)5-9)10(7-18-13)11-3-4-20(19-11)14(16)17/h3-4,6-9,14,21H,1-2,5H2.
What are the key properties of 3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]oxy]cyclopentan-1-ol?
3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]oxy]cyclopentan-1-ol has a molecular weight of 329.73 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]oxy]cyclopentan-1-ol is sourced from PubChem (CID 167425959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).