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

C15H17ClF2N4O — CID 167425832

IUPAC4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2cc(Cl)ncc2-c2cnn(C(F)F)c2)CC1
InChIInChI=1S/C15H17ClF2N4O/c16-14-5-13(21-10-1-3-11(23)4-2-10)12(7-19-14)9-6-20-22(8-9)15(17)18/h5-8,10-11,15,23H,1-4H2,(H,19,21)
InChIKeyOOSWXHNYOBAHSZ-UHFFFAOYSA-N
MW342.78 g/mol
LogP3.71
Rot. Bonds4

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

4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]amino]cyclohexan-1-ol (PubChem CID 167425832) has the molecular formula C15H17ClF2N4O and a molecular weight of 342.78 g/mol. Its IUPAC name is 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]amino]cyclohexan-1-ol
PubChem CID167425832
Molecular FormulaC15H17ClF2N4O
Molecular Weight342.78 g/mol
Exact Mass342.11
IUPAC Name4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2cc(Cl)ncc2-c2cnn(C(F)F)c2)CC1
InChIInChI=1S/C15H17ClF2N4O/c16-14-5-13(21-10-1-3-11(23)4-2-10)12(7-19-14)9-6-20-22(8-9)15(17)18/h5-8,10-11,15,23H,1-4H2,(H,19,21)
InChIKeyOOSWXHNYOBAHSZ-UHFFFAOYSA-N
XLogP3.71
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 53.71
H-Bond Donors ≤ 52
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]amino]cyclohexan-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

2-chloro-N-propan-2-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridin-4-amine
CID 124160394
trans-(1S,2S)-4-[[4-(2-chloro-3-pyridinyl)pyrazol-1-yl]methyl]-2-fluorocyclopentan-1-ol
CID 137391900
cis-(1R,2S)-4-[[4-(2-chloro-3-pyridinyl)pyrazol-1-yl]methyl]-2-fluorocyclopentan-1-ol
CID 137391901
trans-(1R,2R)-4-[[4-(2-chloro-3-pyridinyl)pyrazol-1-yl]methyl]-2-fluorocyclopentan-1-ol
CID 154961167
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-[[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
4-[[2-Chloro-5-[3-(trifluoromethyl)pyrazol-1-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol
CID 167425668

Frequently Asked Questions

What is the IUPAC name of 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]amino]cyclohexan-1-ol (CID 167425832) is 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]amino]cyclohexan-1-ol is OC1CCC(Nc2cc(Cl)ncc2-c2cnn(C(F)F)c2)CC1.
What is the InChIKey of 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]amino]cyclohexan-1-ol?
The InChIKey is OOSWXHNYOBAHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF2N4O/c16-14-5-13(21-10-1-3-11(23)4-2-10)12(7-19-14)9-6-20-22(8-9)15(17)18/h5-8,10-11,15,23H,1-4H2,(H,19,21).
What are the key properties of 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]amino]cyclohexan-1-ol?
4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]amino]cyclohexan-1-ol has a molecular weight of 342.78 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 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]amino]cyclohexan-1-ol is sourced from PubChem (CID 167425832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).