1-[[2,2,2-trifluoro-1-[1-(4-methylcyclohexyl)pyrazol-4-yl]ethyl]amino]propan-2-ol

C15H24F3N3O — CID 136571882

IUPAC1-[[2,2,2-trifluoro-1-[1-(4-methylcyclohexyl)pyrazol-4-yl]ethyl]amino]propan-2-ol
SMILESCC(O)CNC(c1cnn(C2CCC(C)CC2)c1)C(F)(F)F
InChIInChI=1S/C15H24F3N3O/c1-10-3-5-13(6-4-10)21-9-12(8-20-21)14(15(16,17)18)19-7-11(2)22/h8-11,13-14,19,22H,3-7H2,1-2H3
InChIKeyURERAKLSNCOHSH-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.21
Rot. Bonds5

About 1-[[2,2,2-trifluoro-1-[1-(4-methylcyclohexyl)pyrazol-4-yl]ethyl]amino]propan-2-ol

1-[[2,2,2-trifluoro-1-[1-(4-methylcyclohexyl)pyrazol-4-yl]ethyl]amino]propan-2-ol (PubChem CID 136571882) has the molecular formula C15H24F3N3O and a molecular weight of 319.37 g/mol. Its IUPAC name is 1-[[2,2,2-trifluoro-1-[1-(4-methylcyclohexyl)pyrazol-4-yl]ethyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[2,2,2-trifluoro-1-[1-(4-methylcyclohexyl)pyrazol-4-yl]ethyl]amino]propan-2-ol
PubChem CID136571882
Molecular FormulaC15H24F3N3O
Molecular Weight319.37 g/mol
Exact Mass319.19
IUPAC Name1-[[2,2,2-trifluoro-1-[1-(4-methylcyclohexyl)pyrazol-4-yl]ethyl]amino]propan-2-ol
SMILESCC(O)CNC(c1cnn(C2CCC(C)CC2)c1)C(F)(F)F
InChIInChI=1S/C15H24F3N3O/c1-10-3-5-13(6-4-10)21-9-12(8-20-21)14(15(16,17)18)19-7-11(2)22/h8-11,13-14,19,22H,3-7H2,1-2H3
InChIKeyURERAKLSNCOHSH-UHFFFAOYSA-N
XLogP3.21
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[2,2,2-trifluoro-1-[1-(4-methylcyclohexyl)pyrazol-4-yl]ethyl]amino]propan-2-ol with MolForge

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Related Compounds

1,1,1-Trifluoro-3-[[[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol
CID 122154384
2-[[(5R)-5-methyl-2-propan-2-ylidenecyclohexyl]amino]-1-(1-methylpyrazol-4-yl)ethanol
CID 126822153
1-Cyclopentyl-3-[1-(1-methylpyrazol-4-yl)ethylamino]propan-2-ol
CID 132970547
(2S)-1,1,1-trifluoro-3-(4-pentan-2-ylpyrazol-1-yl)propan-2-ol
CID 134364541
N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730364
N-[1-(1-methylpyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 61791654
N-[1-(1-methylpyrazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 61791665
N-[1-(1-ethylpyrazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 61791666
N-[1-(1-ethylpyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 61791844
N-[1-(1-methylpyrazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 61794538
N-[1-(1-ethylpyrazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 61794539
4-Ethyl-2-[4-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 64178822

Frequently Asked Questions

What is the IUPAC name of 1-[[2,2,2-trifluoro-1-[1-(4-methylcyclohexyl)pyrazol-4-yl]ethyl]amino]propan-2-ol?
The IUPAC name of 1-[[2,2,2-trifluoro-1-[1-(4-methylcyclohexyl)pyrazol-4-yl]ethyl]amino]propan-2-ol (CID 136571882) is 1-[[2,2,2-trifluoro-1-[1-(4-methylcyclohexyl)pyrazol-4-yl]ethyl]amino]propan-2-ol.
What is the SMILES notation for 1-[[2,2,2-trifluoro-1-[1-(4-methylcyclohexyl)pyrazol-4-yl]ethyl]amino]propan-2-ol?
The canonical SMILES for 1-[[2,2,2-trifluoro-1-[1-(4-methylcyclohexyl)pyrazol-4-yl]ethyl]amino]propan-2-ol is CC(O)CNC(c1cnn(C2CCC(C)CC2)c1)C(F)(F)F.
What is the InChIKey of 1-[[2,2,2-trifluoro-1-[1-(4-methylcyclohexyl)pyrazol-4-yl]ethyl]amino]propan-2-ol?
The InChIKey is URERAKLSNCOHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N3O/c1-10-3-5-13(6-4-10)21-9-12(8-20-21)14(15(16,17)18)19-7-11(2)22/h8-11,13-14,19,22H,3-7H2,1-2H3.
What are the key properties of 1-[[2,2,2-trifluoro-1-[1-(4-methylcyclohexyl)pyrazol-4-yl]ethyl]amino]propan-2-ol?
1-[[2,2,2-trifluoro-1-[1-(4-methylcyclohexyl)pyrazol-4-yl]ethyl]amino]propan-2-ol has a molecular weight of 319.37 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,2,2-trifluoro-1-[1-(4-methylcyclohexyl)pyrazol-4-yl]ethyl]amino]propan-2-ol is sourced from PubChem (CID 136571882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).