7-chloro-3-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C8H5ClF3N3 — CID 104621729

IUPAC7-chloro-3-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cnn2c(Cl)cc(C(F)(F)F)nc12
InChIInChI=1S/C8H5ClF3N3/c1-4-3-13-15-6(9)2-5(8(10,11)12)14-7(4)15/h2-3H,1H3
InChIKeyMFKJVTRTAOZSLP-UHFFFAOYSA-N
MW235.60 g/mol
LogP2.71
Rot. Bonds

About 7-chloro-3-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

7-chloro-3-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 104621729) has the molecular formula C8H5ClF3N3 and a molecular weight of 235.60 g/mol. Its IUPAC name is 7-chloro-3-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-3-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID104621729
Molecular FormulaC8H5ClF3N3
Molecular Weight235.60 g/mol
Exact Mass235.01
IUPAC Name7-chloro-3-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cnn2c(Cl)cc(C(F)(F)F)nc12
InChIInChI=1S/C8H5ClF3N3/c1-4-3-13-15-6(9)2-5(8(10,11)12)14-7(4)15/h2-3H,1H3
InChIKeyMFKJVTRTAOZSLP-UHFFFAOYSA-N
XLogP2.71
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.60
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-3-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 104621729) is 7-chloro-3-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-3-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-3-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is Cc1cnn2c(Cl)cc(C(F)(F)F)nc12.
What is the InChIKey of 7-chloro-3-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is MFKJVTRTAOZSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3N3/c1-4-3-13-15-6(9)2-5(8(10,11)12)14-7(4)15/h2-3H,1H3.
What are the key properties of 7-chloro-3-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
7-chloro-3-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 235.60 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 104621729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).