4-methoxy-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidine

C14H11F3N4O — CID 110168793

IUPAC4-methoxy-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidine
SMILESCOc1ncnc2c1cnn2Cc1ccccc1C(F)(F)F
InChIInChI=1S/C14H11F3N4O/c1-22-13-10-6-20-21(12(10)18-8-19-13)7-9-4-2-3-5-11(9)14(15,16)17/h2-6,8H,7H2,1H3
InChIKeyWAHZNPIEIUWHJM-UHFFFAOYSA-N
MW308.26 g/mol
LogP2.90
Rot. Bonds3

About 4-methoxy-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidine

4-methoxy-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidine (PubChem CID 110168793) has the molecular formula C14H11F3N4O and a molecular weight of 308.26 g/mol. Its IUPAC name is 4-methoxy-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-methoxy-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidine
PubChem CID110168793
Molecular FormulaC14H11F3N4O
Molecular Weight308.26 g/mol
Exact Mass308.09
IUPAC Name4-methoxy-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidine
SMILESCOc1ncnc2c1cnn2Cc1ccccc1C(F)(F)F
InChIInChI=1S/C14H11F3N4O/c1-22-13-10-6-20-21(12(10)18-8-19-13)7-9-4-2-3-5-11(9)14(15,16)17/h2-6,8H,7H2,1H3
InChIKeyWAHZNPIEIUWHJM-UHFFFAOYSA-N
XLogP2.90
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-fluorophenyl)methyl]-4-methoxypyrazolo[5,4-d]pyrimidine
CID 110168782
1-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 171705345
1-methoxy-4-[[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]isoquinoline
CID 126832215
1-[(2-bromophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63276712
2-[5-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]acetic acid
CID 115069639
3-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-amine
CID 150423324
5-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 90391420
[3,5-dimethyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methanol
CID 115069729
9-ethyl-6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]purine
CID 163344774
1-[[2-(trifluoromethyl)phenyl]methyl]indazole-5-carbaldehyde
CID 140648853
2-methyl-1-[[2-(trifluoromethyl)phenyl]methoxy]propan-2-amine
CID 112739286
4-[6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 154580986

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-methoxy-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidine (CID 110168793) is 4-methoxy-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-methoxy-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-methoxy-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidine is COc1ncnc2c1cnn2Cc1ccccc1C(F)(F)F.
What is the InChIKey of 4-methoxy-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is WAHZNPIEIUWHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O/c1-22-13-10-6-20-21(12(10)18-8-19-13)7-9-4-2-3-5-11(9)14(15,16)17/h2-6,8H,7H2,1H3.
What are the key properties of 4-methoxy-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidine?
4-methoxy-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidine has a molecular weight of 308.26 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 110168793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).