7-chloro-6-ethyl-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine

C16H19ClF3N3 — CID 146588721

IUPAC7-chloro-6-ethyl-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine
SMILESCCc1c(C)nc2cc(C3CCC(C(F)(F)F)CC3)nn2c1Cl
InChIInChI=1S/C16H19ClF3N3/c1-3-12-9(2)21-14-8-13(22-23(14)15(12)17)10-4-6-11(7-5-10)16(18,19)20/h8,10-11H,3-7H2,1-2H3
InChIKeyBVIRLMSZRBOFOV-UHFFFAOYSA-N
MW345.80 g/mol
LogP5.09
Rot. Bonds2

About 7-chloro-6-ethyl-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine

7-chloro-6-ethyl-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 146588721) has the molecular formula C16H19ClF3N3 and a molecular weight of 345.80 g/mol. Its IUPAC name is 7-chloro-6-ethyl-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-6-ethyl-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine
PubChem CID146588721
Molecular FormulaC16H19ClF3N3
Molecular Weight345.80 g/mol
Exact Mass345.12
IUPAC Name7-chloro-6-ethyl-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine
SMILESCCc1c(C)nc2cc(C3CCC(C(F)(F)F)CC3)nn2c1Cl
InChIInChI=1S/C16H19ClF3N3/c1-3-12-9(2)21-14-8-13(22-23(14)15(12)17)10-4-6-11(7-5-10)16(18,19)20/h8,10-11H,3-7H2,1-2H3
InChIKeyBVIRLMSZRBOFOV-UHFFFAOYSA-N
XLogP5.09
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.80
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-ethyl-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-6-ethyl-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine (CID 146588721) is 7-chloro-6-ethyl-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-6-ethyl-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-6-ethyl-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine is CCc1c(C)nc2cc(C3CCC(C(F)(F)F)CC3)nn2c1Cl.
What is the InChIKey of 7-chloro-6-ethyl-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is BVIRLMSZRBOFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClF3N3/c1-3-12-9(2)21-14-8-13(22-23(14)15(12)17)10-4-6-11(7-5-10)16(18,19)20/h8,10-11H,3-7H2,1-2H3.
What are the key properties of 7-chloro-6-ethyl-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine?
7-chloro-6-ethyl-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 345.80 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-ethyl-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 146588721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).