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

C16H19ClF2N4O — CID 167425990

IUPAC3-[[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNc2cc(Cl)ncc2-c2ccn(C(F)F)n2)C1
InChIInChI=1S/C16H19ClF2N4O/c17-15-7-14(20-8-10-2-1-3-11(24)6-10)12(9-21-15)13-4-5-23(22-13)16(18)19/h4-5,7,9-11,16,24H,1-3,6,8H2,(H,20,21)
InChIKeyRYQTVIYRIPDSMY-UHFFFAOYSA-N
MW356.80 g/mol
LogP3.96
Rot. Bonds5

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

3-[[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]methyl]cyclohexan-1-ol (PubChem CID 167425990) has the molecular formula C16H19ClF2N4O and a molecular weight of 356.80 g/mol. Its IUPAC name is 3-[[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]methyl]cyclohexan-1-ol
PubChem CID167425990
Molecular FormulaC16H19ClF2N4O
Molecular Weight356.80 g/mol
Exact Mass356.12
IUPAC Name3-[[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNc2cc(Cl)ncc2-c2ccn(C(F)F)n2)C1
InChIInChI=1S/C16H19ClF2N4O/c17-15-7-14(20-8-10-2-1-3-11(24)6-10)12(9-21-15)13-4-5-23(22-13)16(18)19/h4-5,7,9-11,16,24H,1-3,6,8H2,(H,20,21)
InChIKeyRYQTVIYRIPDSMY-UHFFFAOYSA-N
XLogP3.96
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.80
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

2-[2-(2-Chlorophenyl)-3-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 118431673
[4-[5-Cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]anilino]-(3,5-dichloropyridin-4-yl)methanol
CID 130411657
N-[1-[3-chloro-1-[(4,4-difluorocyclohexyl)methyl]-4-methylpyrazol-5-yl]ethenyl]-2-methylpyridin-4-amine;formamide
CID 166528458
4-[[2-Chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-cyclopropylcyclohexan-1-ol
CID 167425594
4-[[2-Chloro-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol
CID 167425605
4-[[2-Chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-(trifluoromethyl)cyclohexan-1-ol
CID 167425613
4-[[2-Chloro-5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol
CID 167425630
[4-[[2-Chloro-5-(1-methylpyrazol-3-yl)-4-pyridinyl]amino]-1-fluorocyclohexyl]methanol
CID 167425635
2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-N-[(2R)-4-fluorobutan-2-yl]pyridin-4-amine
CID 167425655
2-[[2-Chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexan-1-ol
CID 167425656
2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-N-(4-fluorocyclohexyl)pyridin-4-amine
CID 167425664
1-N-[2-chloro-5-(1-methylpyrazol-3-yl)-4-pyridinyl]-3-N-(2-fluoroethyl)cyclohexane-1,3-diamine
CID 167425667

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]methyl]cyclohexan-1-ol (CID 167425990) is 3-[[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]methyl]cyclohexan-1-ol is OC1CCCC(CNc2cc(Cl)ncc2-c2ccn(C(F)F)n2)C1.
What is the InChIKey of 3-[[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]methyl]cyclohexan-1-ol?
The InChIKey is RYQTVIYRIPDSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClF2N4O/c17-15-7-14(20-8-10-2-1-3-11(24)6-10)12(9-21-15)13-4-5-23(22-13)16(18)19/h4-5,7,9-11,16,24H,1-3,6,8H2,(H,20,21).
What are the key properties of 3-[[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]methyl]cyclohexan-1-ol?
3-[[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]methyl]cyclohexan-1-ol has a molecular weight of 356.80 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 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]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 167425990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).