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

C19H19F3N4O2 — CID 66597981

IUPAC4-[[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ccn3ncc(-c4cccc(OC(F)(F)F)c4)c3n2)CC1
InChIInChI=1S/C19H19F3N4O2/c20-19(21,22)28-15-3-1-2-12(10-15)16-11-23-26-9-8-17(25-18(16)26)24-13-4-6-14(27)7-5-13/h1-3,8-11,13-14,27H,4-7H2,(H,24,25)
InChIKeyATMAGFPFVYJWHA-UHFFFAOYSA-N
MW392.38 g/mol
LogP4.01
Rot. Bonds4

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

4-[[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol (PubChem CID 66597981) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is 4-[[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol
PubChem CID66597981
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC Name4-[[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ccn3ncc(-c4cccc(OC(F)(F)F)c4)c3n2)CC1
InChIInChI=1S/C19H19F3N4O2/c20-19(21,22)28-15-3-1-2-12(10-15)16-11-23-26-9-8-17(25-18(16)26)24-13-4-6-14(27)7-5-13/h1-3,8-11,13-14,27H,4-7H2,(H,24,25)
InChIKeyATMAGFPFVYJWHA-UHFFFAOYSA-N
XLogP4.01
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol (CID 66597981) is 4-[[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2ccn3ncc(-c4cccc(OC(F)(F)F)c4)c3n2)CC1.
What is the InChIKey of 4-[[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol?
The InChIKey is ATMAGFPFVYJWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c20-19(21,22)28-15-3-1-2-12(10-15)16-11-23-26-9-8-17(25-18(16)26)24-13-4-6-14(27)7-5-13/h1-3,8-11,13-14,27H,4-7H2,(H,24,25).
What are the key properties of 4-[[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol?
4-[[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol has a molecular weight of 392.38 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 66597981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).