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

C16H18ClF2N3O2 — CID 167426030

IUPAC4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1-methylcyclohexan-1-ol
SMILESCC1(O)CCC(Oc2cc(Cl)ncc2-c2cnn(C(F)F)c2)CC1
InChIInChI=1S/C16H18ClF2N3O2/c1-16(23)4-2-11(3-5-16)24-13-6-14(17)20-8-12(13)10-7-21-22(9-10)15(18)19/h6-9,11,15,23H,2-5H2,1H3
InChIKeyBFWUESZQDMQLIL-UHFFFAOYSA-N
MW357.79 g/mol
LogP4.07
Rot. Bonds4

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

4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1-methylcyclohexan-1-ol (PubChem CID 167426030) has the molecular formula C16H18ClF2N3O2 and a molecular weight of 357.79 g/mol. Its IUPAC name is 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1-methylcyclohexan-1-ol
PubChem CID167426030
Molecular FormulaC16H18ClF2N3O2
Molecular Weight357.79 g/mol
Exact Mass357.11
IUPAC Name4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1-methylcyclohexan-1-ol
SMILESCC1(O)CCC(Oc2cc(Cl)ncc2-c2cnn(C(F)F)c2)CC1
InChIInChI=1S/C16H18ClF2N3O2/c1-16(23)4-2-11(3-5-16)24-13-6-14(17)20-8-12(13)10-7-21-22(9-10)15(18)19/h6-9,11,15,23H,2-5H2,1H3
InChIKeyBFWUESZQDMQLIL-UHFFFAOYSA-N
XLogP4.07
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1-methylcyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1-methylcyclohexan-1-ol?
The IUPAC name of 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1-methylcyclohexan-1-ol (CID 167426030) is 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1-methylcyclohexan-1-ol.
What is the SMILES notation for 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1-methylcyclohexan-1-ol?
The canonical SMILES for 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1-methylcyclohexan-1-ol is CC1(O)CCC(Oc2cc(Cl)ncc2-c2cnn(C(F)F)c2)CC1.
What is the InChIKey of 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1-methylcyclohexan-1-ol?
The InChIKey is BFWUESZQDMQLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClF2N3O2/c1-16(23)4-2-11(3-5-16)24-13-6-14(17)20-8-12(13)10-7-21-22(9-10)15(18)19/h6-9,11,15,23H,2-5H2,1H3.
What are the key properties of 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1-methylcyclohexan-1-ol?
4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1-methylcyclohexan-1-ol has a molecular weight of 357.79 g/mol, XLogP of 4.07, 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-4-yl]-4-pyridinyl]oxy]-1-methylcyclohexan-1-ol is sourced from PubChem (CID 167426030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).