4-methoxy-6-methyl-3-prop-1-en-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidine

C18H17F3N4O — CID 145194994

IUPAC4-methoxy-6-methyl-3-prop-1-en-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidine
SMILESC=C(C)c1nn(Cc2ccc(C(F)(F)F)cc2)c2nc(C)nc(OC)c12
InChIInChI=1S/C18H17F3N4O/c1-10(2)15-14-16(22-11(3)23-17(14)26-4)25(24-15)9-12-5-7-13(8-6-12)18(19,20)21/h5-8H,1,9H2,2-4H3
InChIKeyMZFVGSGIEVKZCA-UHFFFAOYSA-N
MW362.36 g/mol
LogP4.24
Rot. Bonds4

About 4-methoxy-6-methyl-3-prop-1-en-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidine

4-methoxy-6-methyl-3-prop-1-en-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidine (PubChem CID 145194994) has the molecular formula C18H17F3N4O and a molecular weight of 362.36 g/mol. Its IUPAC name is 4-methoxy-6-methyl-3-prop-1-en-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-methoxy-6-methyl-3-prop-1-en-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidine
PubChem CID145194994
Molecular FormulaC18H17F3N4O
Molecular Weight362.36 g/mol
Exact Mass362.14
IUPAC Name4-methoxy-6-methyl-3-prop-1-en-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidine
SMILESC=C(C)c1nn(Cc2ccc(C(F)(F)F)cc2)c2nc(C)nc(OC)c12
InChIInChI=1S/C18H17F3N4O/c1-10(2)15-14-16(22-11(3)23-17(14)26-4)25(24-15)9-12-5-7-13(8-6-12)18(19,20)21/h5-8H,1,9H2,2-4H3
InChIKeyMZFVGSGIEVKZCA-UHFFFAOYSA-N
XLogP4.24
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-3-prop-1-en-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-methoxy-6-methyl-3-prop-1-en-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidine (CID 145194994) is 4-methoxy-6-methyl-3-prop-1-en-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-methoxy-6-methyl-3-prop-1-en-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-methoxy-6-methyl-3-prop-1-en-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidine is C=C(C)c1nn(Cc2ccc(C(F)(F)F)cc2)c2nc(C)nc(OC)c12.
What is the InChIKey of 4-methoxy-6-methyl-3-prop-1-en-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is MZFVGSGIEVKZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O/c1-10(2)15-14-16(22-11(3)23-17(14)26-4)25(24-15)9-12-5-7-13(8-6-12)18(19,20)21/h5-8H,1,9H2,2-4H3.
What are the key properties of 4-methoxy-6-methyl-3-prop-1-en-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidine?
4-methoxy-6-methyl-3-prop-1-en-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidine has a molecular weight of 362.36 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-3-prop-1-en-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 145194994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).