1-methyl-4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol

C20H21F3N4O — CID 66598186

IUPAC1-methyl-4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol
SMILESCC1(O)CCC(Nc2ccn3ncc(-c4cccc(C(F)(F)F)c4)c3n2)CC1
InChIInChI=1S/C20H21F3N4O/c1-19(28)8-5-15(6-9-19)25-17-7-10-27-18(26-17)16(12-24-27)13-3-2-4-14(11-13)20(21,22)23/h2-4,7,10-12,15,28H,5-6,8-9H2,1H3,(H,25,26)
InChIKeyITUYHNBWFITURV-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.52
Rot. Bonds3

About 1-methyl-4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol

1-methyl-4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol (PubChem CID 66598186) has the molecular formula C20H21F3N4O and a molecular weight of 390.41 g/mol. Its IUPAC name is 1-methyl-4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name1-methyl-4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol
PubChem CID66598186
Molecular FormulaC20H21F3N4O
Molecular Weight390.41 g/mol
Exact Mass390.17
IUPAC Name1-methyl-4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol
SMILESCC1(O)CCC(Nc2ccn3ncc(-c4cccc(C(F)(F)F)c4)c3n2)CC1
InChIInChI=1S/C20H21F3N4O/c1-19(28)8-5-15(6-9-19)25-17-7-10-27-18(26-17)16(12-24-27)13-3-2-4-14(11-13)20(21,22)23/h2-4,7,10-12,15,28H,5-6,8-9H2,1H3,(H,25,26)
InChIKeyITUYHNBWFITURV-UHFFFAOYSA-N
XLogP4.52
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol?
The IUPAC name of 1-methyl-4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol (CID 66598186) is 1-methyl-4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 1-methyl-4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 1-methyl-4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol is CC1(O)CCC(Nc2ccn3ncc(-c4cccc(C(F)(F)F)c4)c3n2)CC1.
What is the InChIKey of 1-methyl-4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol?
The InChIKey is ITUYHNBWFITURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O/c1-19(28)8-5-15(6-9-19)25-17-7-10-27-18(26-17)16(12-24-27)13-3-2-4-14(11-13)20(21,22)23/h2-4,7,10-12,15,28H,5-6,8-9H2,1H3,(H,25,26).
What are the key properties of 1-methyl-4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol?
1-methyl-4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol has a molecular weight of 390.41 g/mol, XLogP of 4.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 66598186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).