3-chloro-5-cyclopropyl-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C11H9ClF3N3 — CID 4774108

IUPAC3-chloro-5-cyclopropyl-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(C(F)(F)F)cc(C3CC3)nc2c1Cl
InChIInChI=1S/C11H9ClF3N3/c1-5-9(12)10-16-7(6-2-3-6)4-8(11(13,14)15)18(10)17-5/h4,6H,2-3H2,1H3
InChIKeyJUMWIIRWDREPDW-UHFFFAOYSA-N
MW275.66 g/mol
LogP3.59
Rot. Bonds1

About 3-chloro-5-cyclopropyl-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

3-chloro-5-cyclopropyl-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 4774108) has the molecular formula C11H9ClF3N3 and a molecular weight of 275.66 g/mol. Its IUPAC name is 3-chloro-5-cyclopropyl-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-chloro-5-cyclopropyl-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID4774108
Molecular FormulaC11H9ClF3N3
Molecular Weight275.66 g/mol
Exact Mass275.04
IUPAC Name3-chloro-5-cyclopropyl-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(C(F)(F)F)cc(C3CC3)nc2c1Cl
InChIInChI=1S/C11H9ClF3N3/c1-5-9(12)10-16-7(6-2-3-6)4-8(11(13,14)15)18(10)17-5/h4,6H,2-3H2,1H3
InChIKeyJUMWIIRWDREPDW-UHFFFAOYSA-N
XLogP3.59
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.66
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-cyclopropyl-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-chloro-5-cyclopropyl-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 4774108) is 3-chloro-5-cyclopropyl-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-chloro-5-cyclopropyl-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-chloro-5-cyclopropyl-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is Cc1nn2c(C(F)(F)F)cc(C3CC3)nc2c1Cl.
What is the InChIKey of 3-chloro-5-cyclopropyl-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is JUMWIIRWDREPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N3/c1-5-9(12)10-16-7(6-2-3-6)4-8(11(13,14)15)18(10)17-5/h4,6H,2-3H2,1H3.
What are the key properties of 3-chloro-5-cyclopropyl-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
3-chloro-5-cyclopropyl-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 275.66 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-cyclopropyl-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4774108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).