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

C14H14ClF2N3O2 — CID 167426021

IUPAC3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]oxy]cyclopentan-1-ol
SMILESOC1CCC(Oc2cc(Cl)ncc2-c2cnn(C(F)F)c2)C1
InChIInChI=1S/C14H14ClF2N3O2/c15-13-4-12(22-10-2-1-9(21)3-10)11(6-18-13)8-5-19-20(7-8)14(16)17/h4-7,9-10,14,21H,1-3H2
InChIKeyILTUJCFQGBUEGD-UHFFFAOYSA-N
MW329.73 g/mol
LogP3.29
Rot. Bonds4

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

3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]oxy]cyclopentan-1-ol (PubChem CID 167426021) 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-4-yl]-4-pyridinyl]oxy]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]oxy]cyclopentan-1-ol
PubChem CID167426021
Molecular FormulaC14H14ClF2N3O2
Molecular Weight329.73 g/mol
Exact Mass329.07
IUPAC Name3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]oxy]cyclopentan-1-ol
SMILESOC1CCC(Oc2cc(Cl)ncc2-c2cnn(C(F)F)c2)C1
InChIInChI=1S/C14H14ClF2N3O2/c15-13-4-12(22-10-2-1-9(21)3-10)11(6-18-13)8-5-19-20(7-8)14(16)17/h4-7,9-10,14,21H,1-3H2
InChIKeyILTUJCFQGBUEGD-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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Related Compounds

2-[4-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}ethyl)-3-isopropoxy-1H-pyrazol-1-yl]ethanol
CID 69319328
[1-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-3-propan-2-yloxypyrazol-5-yl]methanol
CID 140177440
2-Chloro-5-(4-chloro-1-ethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine
CID 153296753
4-[[2-Chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]oxy]cyclohexan-1-ol
CID 167425648
2-Chloro-4-[4-(difluoromethoxy)cyclohexyl]oxy-5-[1-(difluoromethyl)pyrazol-4-yl]pyridine
CID 167425726
4-[[2-Chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]oxy]-1-methylcyclohexan-1-ol
CID 167425829
trans-(1S,3S)-3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-N-methylcyclohexan-1-amine
CID 167425954
3-[[2-Chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]oxy]cyclopentan-1-ol
CID 167425959
4-[[2-Chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1-methylcyclohexan-1-amine
CID 167425971
4-[[2-Chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]oxy]cyclohexan-1-ol
CID 167425978
4-[[2-Chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1-methylcyclohexan-1-ol
CID 167426030
2-Chloro-5-[2-[1-(2-fluoroethyl)pyrazol-4-yl]ethynyl]-4-propan-2-yloxypyridine
CID 167426950

Frequently Asked Questions

What is the IUPAC name of 3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]oxy]cyclopentan-1-ol?
The IUPAC name of 3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]oxy]cyclopentan-1-ol (CID 167426021) is 3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]oxy]cyclopentan-1-ol.
What is the SMILES notation for 3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]oxy]cyclopentan-1-ol?
The canonical SMILES for 3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]oxy]cyclopentan-1-ol is OC1CCC(Oc2cc(Cl)ncc2-c2cnn(C(F)F)c2)C1.
What is the InChIKey of 3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]oxy]cyclopentan-1-ol?
The InChIKey is ILTUJCFQGBUEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF2N3O2/c15-13-4-12(22-10-2-1-9(21)3-10)11(6-18-13)8-5-19-20(7-8)14(16)17/h4-7,9-10,14,21H,1-3H2.
What are the key properties of 3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]oxy]cyclopentan-1-ol?
3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-4-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-4-yl]-4-pyridinyl]oxy]cyclopentan-1-ol is sourced from PubChem (CID 167426021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).