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

C18H19FN4O — CID 59662219

IUPAC4-[[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ccn3ncc(-c4ccc(F)cc4)c3n2)CC1
InChIInChI=1S/C18H19FN4O/c19-13-3-1-12(2-4-13)16-11-20-23-10-9-17(22-18(16)23)21-14-5-7-15(24)8-6-14/h1-4,9-11,14-15,24H,5-8H2,(H,21,22)
InChIKeyZZGCYWRQGGKQBX-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.25
Rot. Bonds3

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

4-[[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol (PubChem CID 59662219) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is 4-[[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol
PubChem CID59662219
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name4-[[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ccn3ncc(-c4ccc(F)cc4)c3n2)CC1
InChIInChI=1S/C18H19FN4O/c19-13-3-1-12(2-4-13)16-11-20-23-10-9-17(22-18(16)23)21-14-5-7-15(24)8-6-14/h1-4,9-11,14-15,24H,5-8H2,(H,21,22)
InChIKeyZZGCYWRQGGKQBX-UHFFFAOYSA-N
XLogP3.25
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol (CID 59662219) is 4-[[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2ccn3ncc(-c4ccc(F)cc4)c3n2)CC1.
What is the InChIKey of 4-[[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol?
The InChIKey is ZZGCYWRQGGKQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c19-13-3-1-12(2-4-13)16-11-20-23-10-9-17(22-18(16)23)21-14-5-7-15(24)8-6-14/h1-4,9-11,14-15,24H,5-8H2,(H,21,22).
What are the key properties of 4-[[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol?
4-[[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol has a molecular weight of 326.38 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 59662219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).