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

C16H18ClF2N3O2 — CID 167425829

IUPAC4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]oxy]-1-methylcyclohexan-1-ol
SMILESCC1(O)CCC(Oc2cc(Cl)ncc2-c2ccn(C(F)F)n2)CC1
InChIInChI=1S/C16H18ClF2N3O2/c1-16(23)5-2-10(3-6-16)24-13-8-14(17)20-9-11(13)12-4-7-22(21-12)15(18)19/h4,7-10,15,23H,2-3,5-6H2,1H3
InChIKeyFTRIDBAZACWDLP-UHFFFAOYSA-N
MW357.79 g/mol
LogP4.07
Rot. Bonds4

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

4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]oxy]-1-methylcyclohexan-1-ol (PubChem CID 167425829) 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-3-yl]-4-pyridinyl]oxy]-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]oxy]-1-methylcyclohexan-1-ol
PubChem CID167425829
Molecular FormulaC16H18ClF2N3O2
Molecular Weight357.79 g/mol
Exact Mass357.11
IUPAC Name4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]oxy]-1-methylcyclohexan-1-ol
SMILESCC1(O)CCC(Oc2cc(Cl)ncc2-c2ccn(C(F)F)n2)CC1
InChIInChI=1S/C16H18ClF2N3O2/c1-16(23)5-2-10(3-6-16)24-13-8-14(17)20-9-11(13)12-4-7-22(21-12)15(18)19/h4,7-10,15,23H,2-3,5-6H2,1H3
InChIKeyFTRIDBAZACWDLP-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-3-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

Related Compounds

(3S,4R)-4-[5-(4-Chloro-phenyl)-pyrazol-1-yl]-2,2-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-ol
CID 44564252
(2S)-2-amino-3-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]pyrazol-1-yl]propan-1-ol
CID 166021325
5-[3-Chloro-4-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-5-yl]-2-methoxypyridine
CID 102205408
5-(4-Chlorophenoxy)-1-methyl-3-trifluoromethyl-1H-pyrazole-4-carbaldehyde O-[(2-chloropyridin-5-yl)methyl]oxime
CID 139082447
2-Chloro-5-[[4-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-fluorophenoxy]methyl]pyridine
CID 57312688
2-[2-[3-[1-[(2-Chloro-4-fluorophenyl)methyl]-3-propan-2-yloxypyrazol-5-yl]propoxy]-3-pyridinyl]acetic acid
CID 69313731
3-Chloro-5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-2-methoxypyridine
CID 69860739
4-Chloro-5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-2-methoxypyridine
CID 69867501
2-Chloro-3-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]pyridine
CID 85964289
2,4-Dichloro-5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]pyridine
CID 85964419
2-Chloro-5-[(3-{(Z)-1-fluoro-2-[4-(trifluoromethoxy)phenyl]vinyl}-5-methyl-1H-pyrazol-1-yl)methyl]pyridine
CID 86686585
2-Chloro-5-[(3-{(Z)-1-fluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]vinyl}-5-methyl-1H-pyrazol-1-yl)methyl]pyridine
CID 86686586

Frequently Asked Questions

What is the IUPAC name of 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]oxy]-1-methylcyclohexan-1-ol?
The IUPAC name of 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]oxy]-1-methylcyclohexan-1-ol (CID 167425829) is 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]oxy]-1-methylcyclohexan-1-ol.
What is the SMILES notation for 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]oxy]-1-methylcyclohexan-1-ol?
The canonical SMILES for 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]oxy]-1-methylcyclohexan-1-ol is CC1(O)CCC(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]-1-methylcyclohexan-1-ol?
The InChIKey is FTRIDBAZACWDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClF2N3O2/c1-16(23)5-2-10(3-6-16)24-13-8-14(17)20-9-11(13)12-4-7-22(21-12)15(18)19/h4,7-10,15,23H,2-3,5-6H2,1H3.
What are the key properties of 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]oxy]-1-methylcyclohexan-1-ol?
4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-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-3-yl]-4-pyridinyl]oxy]-1-methylcyclohexan-1-ol is sourced from PubChem (CID 167425829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).