7-chloro-2-ethyl-6-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C10H9ClF3N3 — CID 104621576

IUPAC7-chloro-2-ethyl-6-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCCc1cc2nc(C(F)(F)F)c(C)c(Cl)n2n1
InChIInChI=1S/C10H9ClF3N3/c1-3-6-4-7-15-8(10(12,13)14)5(2)9(11)17(7)16-6/h4H,3H2,1-2H3
InChIKeyIOODGSBQRFZJAS-UHFFFAOYSA-N
MW263.65 g/mol
LogP3.27
Rot. Bonds1

About 7-chloro-2-ethyl-6-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

7-chloro-2-ethyl-6-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 104621576) has the molecular formula C10H9ClF3N3 and a molecular weight of 263.65 g/mol. Its IUPAC name is 7-chloro-2-ethyl-6-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-2-ethyl-6-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID104621576
Molecular FormulaC10H9ClF3N3
Molecular Weight263.65 g/mol
Exact Mass263.04
IUPAC Name7-chloro-2-ethyl-6-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCCc1cc2nc(C(F)(F)F)c(C)c(Cl)n2n1
InChIInChI=1S/C10H9ClF3N3/c1-3-6-4-7-15-8(10(12,13)14)5(2)9(11)17(7)16-6/h4H,3H2,1-2H3
InChIKeyIOODGSBQRFZJAS-UHFFFAOYSA-N
XLogP3.27
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.65
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-ethyl-6-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-2-ethyl-6-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 104621576) is 7-chloro-2-ethyl-6-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-2-ethyl-6-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-2-ethyl-6-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is CCc1cc2nc(C(F)(F)F)c(C)c(Cl)n2n1.
What is the InChIKey of 7-chloro-2-ethyl-6-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is IOODGSBQRFZJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N3/c1-3-6-4-7-15-8(10(12,13)14)5(2)9(11)17(7)16-6/h4H,3H2,1-2H3.
What are the key properties of 7-chloro-2-ethyl-6-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
7-chloro-2-ethyl-6-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 263.65 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-ethyl-6-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 104621576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).