3-methyl-5-(trifluoromethyl)-2H-pyrazolo[4,3-d]pyrimidine

C7H5F3N4 — CID 166898336

IUPAC3-methyl-5-(trifluoromethyl)-2H-pyrazolo[4,3-d]pyrimidine
SMILESCc1[nH]nc2cnc(C(F)(F)F)nc12
InChIInChI=1S/C7H5F3N4/c1-3-5-4(14-13-3)2-11-6(12-5)7(8,9)10/h2H,1H3,(H,13,14)
InChIKeyDIIJIWIUJBLNRB-UHFFFAOYSA-N
MW202.14 g/mol
LogP1.68
Rot. Bonds

About 3-methyl-5-(trifluoromethyl)-2H-pyrazolo[4,3-d]pyrimidine

3-methyl-5-(trifluoromethyl)-2H-pyrazolo[4,3-d]pyrimidine (PubChem CID 166898336) has the molecular formula C7H5F3N4 and a molecular weight of 202.14 g/mol. Its IUPAC name is 3-methyl-5-(trifluoromethyl)-2H-pyrazolo[4,3-d]pyrimidine.

Molecular Properties

Compound Name3-methyl-5-(trifluoromethyl)-2H-pyrazolo[4,3-d]pyrimidine
PubChem CID166898336
Molecular FormulaC7H5F3N4
Molecular Weight202.14 g/mol
Exact Mass202.05
IUPAC Name3-methyl-5-(trifluoromethyl)-2H-pyrazolo[4,3-d]pyrimidine
SMILESCc1[nH]nc2cnc(C(F)(F)F)nc12
InChIInChI=1S/C7H5F3N4/c1-3-5-4(14-13-3)2-11-6(12-5)7(8,9)10/h2H,1H3,(H,13,14)
InChIKeyDIIJIWIUJBLNRB-UHFFFAOYSA-N
XLogP1.68
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.14
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(trifluoromethyl)-2H-pyrazolo[4,3-d]pyrimidine?
The IUPAC name of 3-methyl-5-(trifluoromethyl)-2H-pyrazolo[4,3-d]pyrimidine (CID 166898336) is 3-methyl-5-(trifluoromethyl)-2H-pyrazolo[4,3-d]pyrimidine.
What is the SMILES notation for 3-methyl-5-(trifluoromethyl)-2H-pyrazolo[4,3-d]pyrimidine?
The canonical SMILES for 3-methyl-5-(trifluoromethyl)-2H-pyrazolo[4,3-d]pyrimidine is Cc1[nH]nc2cnc(C(F)(F)F)nc12.
What is the InChIKey of 3-methyl-5-(trifluoromethyl)-2H-pyrazolo[4,3-d]pyrimidine?
The InChIKey is DIIJIWIUJBLNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4/c1-3-5-4(14-13-3)2-11-6(12-5)7(8,9)10/h2H,1H3,(H,13,14).
What are the key properties of 3-methyl-5-(trifluoromethyl)-2H-pyrazolo[4,3-d]pyrimidine?
3-methyl-5-(trifluoromethyl)-2H-pyrazolo[4,3-d]pyrimidine has a molecular weight of 202.14 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(trifluoromethyl)-2H-pyrazolo[4,3-d]pyrimidine is sourced from PubChem (CID 166898336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).