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

C17H20ClF3N4O — CID 167426171

IUPAC[4-[[2-chloro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol
SMILESCn1nc(-c2cnc(Cl)cc2NC2CCC(CO)CC2)cc1C(F)(F)F
InChIInChI=1S/C17H20ClF3N4O/c1-25-15(17(19,20)21)6-14(24-25)12-8-22-16(18)7-13(12)23-11-4-2-10(9-26)3-5-11/h6-8,10-11,26H,2-5,9H2,1H3,(H,22,23)
InChIKeyGDUIIIOPNWUCPU-UHFFFAOYSA-N
MW388.82 g/mol
LogP4.12
Rot. Bonds4

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

[4-[[2-chloro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol (PubChem CID 167426171) has the molecular formula C17H20ClF3N4O and a molecular weight of 388.82 g/mol. Its IUPAC name is [4-[[2-chloro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[[2-chloro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol
PubChem CID167426171
Molecular FormulaC17H20ClF3N4O
Molecular Weight388.82 g/mol
Exact Mass388.13
IUPAC Name[4-[[2-chloro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol
SMILESCn1nc(-c2cnc(Cl)cc2NC2CCC(CO)CC2)cc1C(F)(F)F
InChIInChI=1S/C17H20ClF3N4O/c1-25-15(17(19,20)21)6-14(24-25)12-8-22-16(18)7-13(12)23-11-4-2-10(9-26)3-5-11/h6-8,10-11,26H,2-5,9H2,1H3,(H,22,23)
InChIKeyGDUIIIOPNWUCPU-UHFFFAOYSA-N
XLogP4.12
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.82
LogP ≤ 54.12
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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Frequently Asked Questions

What is the IUPAC name of [4-[[2-chloro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol?
The IUPAC name of [4-[[2-chloro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol (CID 167426171) is [4-[[2-chloro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol.
What is the SMILES notation for [4-[[2-chloro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol?
The canonical SMILES for [4-[[2-chloro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol is Cn1nc(-c2cnc(Cl)cc2NC2CCC(CO)CC2)cc1C(F)(F)F.
What is the InChIKey of [4-[[2-chloro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol?
The InChIKey is GDUIIIOPNWUCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClF3N4O/c1-25-15(17(19,20)21)6-14(24-25)12-8-22-16(18)7-13(12)23-11-4-2-10(9-26)3-5-11/h6-8,10-11,26H,2-5,9H2,1H3,(H,22,23).
What are the key properties of [4-[[2-chloro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol?
[4-[[2-chloro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol has a molecular weight of 388.82 g/mol, XLogP of 4.12, 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-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol is sourced from PubChem (CID 167426171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).