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

C14H15ClF3N3 — CID 162723892

IUPAC7-chloro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(Cl)n2nc(C3CCC(C(F)(F)F)CC3)cc2n1
InChIInChI=1S/C14H15ClF3N3/c1-8-6-12(15)21-13(19-8)7-11(20-21)9-2-4-10(5-3-9)14(16,17)18/h6-7,9-10H,2-5H2,1H3
InChIKeyUDEGWIHWFSHIKH-UHFFFAOYSA-N
MW317.74 g/mol
LogP4.53
Rot. Bonds1

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

7-chloro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 162723892) has the molecular formula C14H15ClF3N3 and a molecular weight of 317.74 g/mol. Its IUPAC name is 7-chloro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine
PubChem CID162723892
Molecular FormulaC14H15ClF3N3
Molecular Weight317.74 g/mol
Exact Mass317.09
IUPAC Name7-chloro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(Cl)n2nc(C3CCC(C(F)(F)F)CC3)cc2n1
InChIInChI=1S/C14H15ClF3N3/c1-8-6-12(15)21-13(19-8)7-11(20-21)9-2-4-10(5-3-9)14(16,17)18/h6-7,9-10H,2-5H2,1H3
InChIKeyUDEGWIHWFSHIKH-UHFFFAOYSA-N
XLogP4.53
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.74
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-chloro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine (CID 162723892) is 7-chloro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine is Cc1cc(Cl)n2nc(C3CCC(C(F)(F)F)CC3)cc2n1.
What is the InChIKey of 7-chloro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is UDEGWIHWFSHIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3N3/c1-8-6-12(15)21-13(19-8)7-11(20-21)9-2-4-10(5-3-9)14(16,17)18/h6-7,9-10H,2-5H2,1H3.
What are the key properties of 7-chloro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine?
7-chloro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 317.74 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 162723892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).