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

C16H19ClF2N4O — CID 167425692

IUPAC4-[[2-chloro-5-(1-methylpyrazol-3-yl)-4-pyridinyl]amino]-1-(difluoromethyl)cyclohexan-1-ol
SMILESCn1ccc(-c2cnc(Cl)cc2NC2CCC(O)(C(F)F)CC2)n1
InChIInChI=1S/C16H19ClF2N4O/c1-23-7-4-12(22-23)11-9-20-14(17)8-13(11)21-10-2-5-16(24,6-3-10)15(18)19/h4,7-10,15,24H,2-3,5-6H2,1H3,(H,20,21)
InChIKeyYNCDLQBLYBDZPS-UHFFFAOYSA-N
MW356.80 g/mol
LogP3.49
Rot. Bonds4

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

4-[[2-chloro-5-(1-methylpyrazol-3-yl)-4-pyridinyl]amino]-1-(difluoromethyl)cyclohexan-1-ol (PubChem CID 167425692) has the molecular formula C16H19ClF2N4O and a molecular weight of 356.80 g/mol. Its IUPAC name is 4-[[2-chloro-5-(1-methylpyrazol-3-yl)-4-pyridinyl]amino]-1-(difluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-chloro-5-(1-methylpyrazol-3-yl)-4-pyridinyl]amino]-1-(difluoromethyl)cyclohexan-1-ol
PubChem CID167425692
Molecular FormulaC16H19ClF2N4O
Molecular Weight356.80 g/mol
Exact Mass356.12
IUPAC Name4-[[2-chloro-5-(1-methylpyrazol-3-yl)-4-pyridinyl]amino]-1-(difluoromethyl)cyclohexan-1-ol
SMILESCn1ccc(-c2cnc(Cl)cc2NC2CCC(O)(C(F)F)CC2)n1
InChIInChI=1S/C16H19ClF2N4O/c1-23-7-4-12(22-23)11-9-20-14(17)8-13(11)21-10-2-5-16(24,6-3-10)15(18)19/h4,7-10,15,24H,2-3,5-6H2,1H3,(H,20,21)
InChIKeyYNCDLQBLYBDZPS-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
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-[(4-chlorophenyl)-pyridin-3-ylmethyl]-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine
CID 56665854
1-[[(1-Methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 52868619
N-{[3-(2-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-1-(4-pyridinyl)-1-propanamine
CID 45192137
N-[(2-chlorophenyl)methyl]-6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyridin-3-amine
CID 71105365
1-(2-chloro-phenyl)-5-[6-(1,2,3,6-tetrahydropyridin-4-yl)-pyridin-3-yl]-3-[di-(trifluoromethyl)-hydroxy-methyl]-4,5-dihydro-1H-pyrazole hydrochloride
CID 118431672
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-[1-[6-Chloro-4-[(3,3-difluorocyclopentyl)amino]pyridin-3-yl]triazol-4-yl]-2-methylbutan-2-ol
CID 124160101
2-chloro-N-propan-2-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridin-4-amine
CID 124160394
N-[(4-chlorophenyl)methyl]-6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyridin-3-amine
CID 130397910
N-[(4-chlorophenyl)methyl]-6-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]pyridin-3-amine
CID 130397933
N-[(4-chlorophenyl)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridin-3-amine
CID 146433211
N-[1-[3-chloro-1-[(4,4-difluorocyclohexyl)methyl]-4-methylpyrazol-5-yl]ethenyl]-2-methylpyridin-4-amine;formamide
CID 166528458

Frequently Asked Questions

What is the IUPAC name of 4-[[2-chloro-5-(1-methylpyrazol-3-yl)-4-pyridinyl]amino]-1-(difluoromethyl)cyclohexan-1-ol?
The IUPAC name of 4-[[2-chloro-5-(1-methylpyrazol-3-yl)-4-pyridinyl]amino]-1-(difluoromethyl)cyclohexan-1-ol (CID 167425692) is 4-[[2-chloro-5-(1-methylpyrazol-3-yl)-4-pyridinyl]amino]-1-(difluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-chloro-5-(1-methylpyrazol-3-yl)-4-pyridinyl]amino]-1-(difluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 4-[[2-chloro-5-(1-methylpyrazol-3-yl)-4-pyridinyl]amino]-1-(difluoromethyl)cyclohexan-1-ol is Cn1ccc(-c2cnc(Cl)cc2NC2CCC(O)(C(F)F)CC2)n1.
What is the InChIKey of 4-[[2-chloro-5-(1-methylpyrazol-3-yl)-4-pyridinyl]amino]-1-(difluoromethyl)cyclohexan-1-ol?
The InChIKey is YNCDLQBLYBDZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClF2N4O/c1-23-7-4-12(22-23)11-9-20-14(17)8-13(11)21-10-2-5-16(24,6-3-10)15(18)19/h4,7-10,15,24H,2-3,5-6H2,1H3,(H,20,21).
What are the key properties of 4-[[2-chloro-5-(1-methylpyrazol-3-yl)-4-pyridinyl]amino]-1-(difluoromethyl)cyclohexan-1-ol?
4-[[2-chloro-5-(1-methylpyrazol-3-yl)-4-pyridinyl]amino]-1-(difluoromethyl)cyclohexan-1-ol has a molecular weight of 356.80 g/mol, XLogP of 3.49, 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-methylpyrazol-3-yl)-4-pyridinyl]amino]-1-(difluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 167425692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).