6-cyclohexyl-3-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyrimidin-4-one

C16H19F3N4O — CID 167989257

IUPAC6-cyclohexyl-3-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyrimidin-4-one
SMILESO=c1cc(C2CCCCC2)ncn1Cc1ccnn1CC(F)(F)F
InChIInChI=1S/C16H19F3N4O/c17-16(18,19)10-23-13(6-7-21-23)9-22-11-20-14(8-15(22)24)12-4-2-1-3-5-12/h6-8,11-12H,1-5,9-10H2
InChIKeyACDXSKPAFRMVSD-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.10
Rot. Bonds4

About 6-cyclohexyl-3-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyrimidin-4-one

6-cyclohexyl-3-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyrimidin-4-one (PubChem CID 167989257) has the molecular formula C16H19F3N4O and a molecular weight of 340.35 g/mol. Its IUPAC name is 6-cyclohexyl-3-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-cyclohexyl-3-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyrimidin-4-one
PubChem CID167989257
Molecular FormulaC16H19F3N4O
Molecular Weight340.35 g/mol
Exact Mass340.15
IUPAC Name6-cyclohexyl-3-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyrimidin-4-one
SMILESO=c1cc(C2CCCCC2)ncn1Cc1ccnn1CC(F)(F)F
InChIInChI=1S/C16H19F3N4O/c17-16(18,19)10-23-13(6-7-21-23)9-22-11-20-14(8-15(22)24)12-4-2-1-3-5-12/h6-8,11-12H,1-5,9-10H2
InChIKeyACDXSKPAFRMVSD-UHFFFAOYSA-N
XLogP3.10
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-cyclohexyl-3-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyrimidin-4-one 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 6-cyclohexyl-3-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-cyclohexyl-3-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyrimidin-4-one (CID 167989257) is 6-cyclohexyl-3-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-cyclohexyl-3-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-cyclohexyl-3-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyrimidin-4-one is O=c1cc(C2CCCCC2)ncn1Cc1ccnn1CC(F)(F)F.
What is the InChIKey of 6-cyclohexyl-3-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyrimidin-4-one?
The InChIKey is ACDXSKPAFRMVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O/c17-16(18,19)10-23-13(6-7-21-23)9-22-11-20-14(8-15(22)24)12-4-2-1-3-5-12/h6-8,11-12H,1-5,9-10H2.
What are the key properties of 6-cyclohexyl-3-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyrimidin-4-one?
6-cyclohexyl-3-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyrimidin-4-one has a molecular weight of 340.35 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-3-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 167989257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).