[4-[(2-chlorophenyl)methyl]-2-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]methanol

C15H15ClF3N3O — CID 129047264

IUPAC[4-[(2-chlorophenyl)methyl]-2-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]methanol
SMILESOCc1c(C(F)(F)F)nn2c1N(Cc1ccccc1Cl)CCC2
InChIInChI=1S/C15H15ClF3N3O/c16-12-5-2-1-4-10(12)8-21-6-3-7-22-14(21)11(9-23)13(20-22)15(17,18)19/h1-2,4-5,23H,3,6-9H2
InChIKeyFMRLYTNSKFPDLM-UHFFFAOYSA-N
MW345.75 g/mol
LogP3.46
Rot. Bonds3

About [4-[(2-chlorophenyl)methyl]-2-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]methanol

[4-[(2-chlorophenyl)methyl]-2-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]methanol (PubChem CID 129047264) has the molecular formula C15H15ClF3N3O and a molecular weight of 345.75 g/mol. Its IUPAC name is [4-[(2-chlorophenyl)methyl]-2-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]methanol.

Molecular Properties

Compound Name[4-[(2-chlorophenyl)methyl]-2-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]methanol
PubChem CID129047264
Molecular FormulaC15H15ClF3N3O
Molecular Weight345.75 g/mol
Exact Mass345.09
IUPAC Name[4-[(2-chlorophenyl)methyl]-2-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]methanol
SMILESOCc1c(C(F)(F)F)nn2c1N(Cc1ccccc1Cl)CCC2
InChIInChI=1S/C15H15ClF3N3O/c16-12-5-2-1-4-10(12)8-21-6-3-7-22-14(21)11(9-23)13(20-22)15(17,18)19/h1-2,4-5,23H,3,6-9H2
InChIKeyFMRLYTNSKFPDLM-UHFFFAOYSA-N
XLogP3.46
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.75
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-chlorophenyl)methyl]-2-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]methanol?
The IUPAC name of [4-[(2-chlorophenyl)methyl]-2-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]methanol (CID 129047264) is [4-[(2-chlorophenyl)methyl]-2-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]methanol.
What is the SMILES notation for [4-[(2-chlorophenyl)methyl]-2-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]methanol?
The canonical SMILES for [4-[(2-chlorophenyl)methyl]-2-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]methanol is OCc1c(C(F)(F)F)nn2c1N(Cc1ccccc1Cl)CCC2.
What is the InChIKey of [4-[(2-chlorophenyl)methyl]-2-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]methanol?
The InChIKey is FMRLYTNSKFPDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3N3O/c16-12-5-2-1-4-10(12)8-21-6-3-7-22-14(21)11(9-23)13(20-22)15(17,18)19/h1-2,4-5,23H,3,6-9H2.
What are the key properties of [4-[(2-chlorophenyl)methyl]-2-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]methanol?
[4-[(2-chlorophenyl)methyl]-2-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]methanol has a molecular weight of 345.75 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chlorophenyl)methyl]-2-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]methanol is sourced from PubChem (CID 129047264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).