7-methylidene-5-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine

C8H6F3N3 — CID 136633869

IUPAC7-methylidene-5-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine
SMILESC=C1C=C(C(F)(F)F)Nc2ccnn21
InChIInChI=1S/C8H6F3N3/c1-5-4-6(8(9,10)11)13-7-2-3-12-14(5)7/h2-4,13H,1H2
InChIKeyYUPZTKYZCSANGP-UHFFFAOYSA-N
MW201.15 g/mol
LogP2.23
Rot. Bonds

About 7-methylidene-5-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine

7-methylidene-5-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine (PubChem CID 136633869) has the molecular formula C8H6F3N3 and a molecular weight of 201.15 g/mol. Its IUPAC name is 7-methylidene-5-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-methylidene-5-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine
PubChem CID136633869
Molecular FormulaC8H6F3N3
Molecular Weight201.15 g/mol
Exact Mass201.05
IUPAC Name7-methylidene-5-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine
SMILESC=C1C=C(C(F)(F)F)Nc2ccnn21
InChIInChI=1S/C8H6F3N3/c1-5-4-6(8(9,10)11)13-7-2-3-12-14(5)7/h2-4,13H,1H2
InChIKeyYUPZTKYZCSANGP-UHFFFAOYSA-N
XLogP2.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.15
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methylidene-5-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-methylidene-5-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine (CID 136633869) is 7-methylidene-5-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-methylidene-5-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-methylidene-5-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine is C=C1C=C(C(F)(F)F)Nc2ccnn21.
What is the InChIKey of 7-methylidene-5-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine?
The InChIKey is YUPZTKYZCSANGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3/c1-5-4-6(8(9,10)11)13-7-2-3-12-14(5)7/h2-4,13H,1H2.
What are the key properties of 7-methylidene-5-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine?
7-methylidene-5-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine has a molecular weight of 201.15 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylidene-5-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136633869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).