2-[4-[[2-chloro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]ethanol

C18H22ClF3N4O — CID 167425953

IUPAC2-[4-[[2-chloro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]ethanol
SMILESCn1nc(-c2cnc(Cl)cc2NC2CCC(CCO)CC2)cc1C(F)(F)F
InChIInChI=1S/C18H22ClF3N4O/c1-26-16(18(20,21)22)8-15(25-26)13-10-23-17(19)9-14(13)24-12-4-2-11(3-5-12)6-7-27/h8-12,27H,2-7H2,1H3,(H,23,24)
InChIKeyHBHPENKQVYACIT-UHFFFAOYSA-N
MW402.85 g/mol
LogP4.51
Rot. Bonds5

About 2-[4-[[2-chloro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]ethanol

2-[4-[[2-chloro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]ethanol (PubChem CID 167425953) has the molecular formula C18H22ClF3N4O and a molecular weight of 402.85 g/mol. Its IUPAC name is 2-[4-[[2-chloro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]ethanol.

Molecular Properties

Compound Name2-[4-[[2-chloro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]ethanol
PubChem CID167425953
Molecular FormulaC18H22ClF3N4O
Molecular Weight402.85 g/mol
Exact Mass402.14
IUPAC Name2-[4-[[2-chloro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]ethanol
SMILESCn1nc(-c2cnc(Cl)cc2NC2CCC(CCO)CC2)cc1C(F)(F)F
InChIInChI=1S/C18H22ClF3N4O/c1-26-16(18(20,21)22)8-15(25-26)13-10-23-17(19)9-14(13)24-12-4-2-11(3-5-12)6-7-27/h8-12,27H,2-7H2,1H3,(H,23,24)
InChIKeyHBHPENKQVYACIT-UHFFFAOYSA-N
XLogP4.51
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.85
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-[[2-chloro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]ethanol with MolForge

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Related Compounds

N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine
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(2R)-2-[[3-fluoro-6-(4-pyrazol-1-ylphenyl)-2-pyridinyl]methylamino]-3-methylbutan-1-ol
CID 68312870
N-[(2-chlorophenyl)methyl]-6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyridin-3-amine
CID 71105365
[3-(2-chlorophenyl)-1-(2-fluoro-5-methylpyridin-4-yl)-1H-pyrazol-4-yl]methanol
CID 86688650
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CID 89354162
4-(3-Chloro-2,6-difluorophenyl)-1-[3-(difluoromethyl)-8-hydroxy-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-2,3-dihydropyridin-6-one
CID 123642487
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
3-Chloro-5-[1-(3,3-difluorocyclobutyl)-5-(oxan-4-yl)pyrazol-3-yl]pyridine
CID 141405174
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 2-[4-[[2-chloro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]ethanol?
The IUPAC name of 2-[4-[[2-chloro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]ethanol (CID 167425953) is 2-[4-[[2-chloro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]ethanol.
What is the SMILES notation for 2-[4-[[2-chloro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]ethanol?
The canonical SMILES for 2-[4-[[2-chloro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]ethanol is Cn1nc(-c2cnc(Cl)cc2NC2CCC(CCO)CC2)cc1C(F)(F)F.
What is the InChIKey of 2-[4-[[2-chloro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]ethanol?
The InChIKey is HBHPENKQVYACIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClF3N4O/c1-26-16(18(20,21)22)8-15(25-26)13-10-23-17(19)9-14(13)24-12-4-2-11(3-5-12)6-7-27/h8-12,27H,2-7H2,1H3,(H,23,24).
What are the key properties of 2-[4-[[2-chloro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]ethanol?
2-[4-[[2-chloro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]ethanol has a molecular weight of 402.85 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-chloro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]ethanol is sourced from PubChem (CID 167425953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).