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

C16H19ClF2N4O — CID 167425929

IUPAC4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-2-methylcyclohexan-1-ol
SMILESCC1CC(Nc2cc(Cl)ncc2-c2ccn(C(F)F)n2)CCC1O
InChIInChI=1S/C16H19ClF2N4O/c1-9-6-10(2-3-14(9)24)21-13-7-15(17)20-8-11(13)12-4-5-23(22-12)16(18)19/h4-5,7-10,14,16,24H,2-3,6H2,1H3,(H,20,21)
InChIKeyQUSKRJGSAGHODR-UHFFFAOYSA-N
MW356.80 g/mol
LogP3.95
Rot. Bonds4

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

4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-2-methylcyclohexan-1-ol (PubChem CID 167425929) has the molecular formula C16H19ClF2N4O and a molecular weight of 356.80 g/mol. Its IUPAC name is 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-2-methylcyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-2-methylcyclohexan-1-ol
PubChem CID167425929
Molecular FormulaC16H19ClF2N4O
Molecular Weight356.80 g/mol
Exact Mass356.12
IUPAC Name4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-2-methylcyclohexan-1-ol
SMILESCC1CC(Nc2cc(Cl)ncc2-c2ccn(C(F)F)n2)CCC1O
InChIInChI=1S/C16H19ClF2N4O/c1-9-6-10(2-3-14(9)24)21-13-7-15(17)20-8-11(13)12-4-5-23(22-12)16(18)19/h4-5,7-10,14,16,24H,2-3,6H2,1H3,(H,20,21)
InChIKeyQUSKRJGSAGHODR-UHFFFAOYSA-N
XLogP3.95
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.80
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
4-[[2-Chloro-5-[3-(trifluoromethyl)pyrazol-1-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol
CID 167425668
cis-(1R,3S)-3-[[[2-chloro-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-4-pyridinyl]amino]methyl]cyclopentan-1-ol
CID 167425685

Frequently Asked Questions

What is the IUPAC name of 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-2-methylcyclohexan-1-ol?
The IUPAC name of 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-2-methylcyclohexan-1-ol (CID 167425929) is 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-2-methylcyclohexan-1-ol.
What is the SMILES notation for 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-2-methylcyclohexan-1-ol?
The canonical SMILES for 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-2-methylcyclohexan-1-ol is CC1CC(Nc2cc(Cl)ncc2-c2ccn(C(F)F)n2)CCC1O.
What is the InChIKey of 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-2-methylcyclohexan-1-ol?
The InChIKey is QUSKRJGSAGHODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClF2N4O/c1-9-6-10(2-3-14(9)24)21-13-7-15(17)20-8-11(13)12-4-5-23(22-12)16(18)19/h4-5,7-10,14,16,24H,2-3,6H2,1H3,(H,20,21).
What are the key properties of 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-2-methylcyclohexan-1-ol?
4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-2-methylcyclohexan-1-ol has a molecular weight of 356.80 g/mol, XLogP of 3.95, 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-3-yl]-4-pyridinyl]amino]-2-methylcyclohexan-1-ol is sourced from PubChem (CID 167425929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).