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

C15H16ClF2N3O2 — CID 167425648

IUPAC4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]oxy]cyclohexan-1-ol
SMILESOC1CCC(Oc2cc(Cl)ncc2-c2ccn(C(F)F)n2)CC1
InChIInChI=1S/C15H16ClF2N3O2/c16-14-7-13(23-10-3-1-9(22)2-4-10)11(8-19-14)12-5-6-21(20-12)15(17)18/h5-10,15,22H,1-4H2
InChIKeyXMHSFTMSWPQLNX-UHFFFAOYSA-N
MW343.76 g/mol
LogP3.68
Rot. Bonds4

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

4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]oxy]cyclohexan-1-ol (PubChem CID 167425648) has the molecular formula C15H16ClF2N3O2 and a molecular weight of 343.76 g/mol. Its IUPAC name is 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]oxy]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]oxy]cyclohexan-1-ol
PubChem CID167425648
Molecular FormulaC15H16ClF2N3O2
Molecular Weight343.76 g/mol
Exact Mass343.09
IUPAC Name4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]oxy]cyclohexan-1-ol
SMILESOC1CCC(Oc2cc(Cl)ncc2-c2ccn(C(F)F)n2)CC1
InChIInChI=1S/C15H16ClF2N3O2/c16-14-7-13(23-10-3-1-9(22)2-4-10)11(8-19-14)12-5-6-21(20-12)15(17)18/h5-10,15,22H,1-4H2
InChIKeyXMHSFTMSWPQLNX-UHFFFAOYSA-N
XLogP3.68
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.76
LogP ≤ 53.68
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 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]oxy]cyclohexan-1-ol?
The IUPAC name of 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]oxy]cyclohexan-1-ol (CID 167425648) is 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]oxy]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]oxy]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]oxy]cyclohexan-1-ol is OC1CCC(Oc2cc(Cl)ncc2-c2ccn(C(F)F)n2)CC1.
What is the InChIKey of 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]oxy]cyclohexan-1-ol?
The InChIKey is XMHSFTMSWPQLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF2N3O2/c16-14-7-13(23-10-3-1-9(22)2-4-10)11(8-19-14)12-5-6-21(20-12)15(17)18/h5-10,15,22H,1-4H2.
What are the key properties of 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]oxy]cyclohexan-1-ol?
4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]oxy]cyclohexan-1-ol has a molecular weight of 343.76 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]oxy]cyclohexan-1-ol is sourced from PubChem (CID 167425648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).