4-methyl-7-[3-(trifluoromethyl)phenyl]-5H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C15H11F3N4 — CID 14501855

IUPAC4-methyl-7-[3-(trifluoromethyl)phenyl]-5H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCN1CC=C(c2cccc(C(F)(F)F)c2)n2ncc(C#N)c21
InChIInChI=1S/C15H11F3N4/c1-21-6-5-13(22-14(21)11(8-19)9-20-22)10-3-2-4-12(7-10)15(16,17)18/h2-5,7,9H,6H2,1H3
InChIKeyHRFDIFUPEJKVDA-UHFFFAOYSA-N
MW304.28 g/mol
LogP3.11
Rot. Bonds1

About 4-methyl-7-[3-(trifluoromethyl)phenyl]-5H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

4-methyl-7-[3-(trifluoromethyl)phenyl]-5H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 14501855) has the molecular formula C15H11F3N4 and a molecular weight of 304.28 g/mol. Its IUPAC name is 4-methyl-7-[3-(trifluoromethyl)phenyl]-5H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-7-[3-(trifluoromethyl)phenyl]-5H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID14501855
Molecular FormulaC15H11F3N4
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC Name4-methyl-7-[3-(trifluoromethyl)phenyl]-5H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCN1CC=C(c2cccc(C(F)(F)F)c2)n2ncc(C#N)c21
InChIInChI=1S/C15H11F3N4/c1-21-6-5-13(22-14(21)11(8-19)9-20-22)10-3-2-4-12(7-10)15(16,17)18/h2-5,7,9H,6H2,1H3
InChIKeyHRFDIFUPEJKVDA-UHFFFAOYSA-N
XLogP3.11
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-[3-(trifluoromethyl)phenyl]-5H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 4-methyl-7-[3-(trifluoromethyl)phenyl]-5H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 14501855) is 4-methyl-7-[3-(trifluoromethyl)phenyl]-5H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 4-methyl-7-[3-(trifluoromethyl)phenyl]-5H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 4-methyl-7-[3-(trifluoromethyl)phenyl]-5H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is CN1CC=C(c2cccc(C(F)(F)F)c2)n2ncc(C#N)c21.
What is the InChIKey of 4-methyl-7-[3-(trifluoromethyl)phenyl]-5H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is HRFDIFUPEJKVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4/c1-21-6-5-13(22-14(21)11(8-19)9-20-22)10-3-2-4-12(7-10)15(16,17)18/h2-5,7,9H,6H2,1H3.
What are the key properties of 4-methyl-7-[3-(trifluoromethyl)phenyl]-5H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
4-methyl-7-[3-(trifluoromethyl)phenyl]-5H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 304.28 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-[3-(trifluoromethyl)phenyl]-5H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 14501855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).