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

C17H21ClF3N3O — CID 146588949

IUPAC7-chloro-6-(2-methoxyethyl)-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine
SMILESCOCCc1c(C)nc2cc(C3CCC(C(F)(F)F)CC3)nn2c1Cl
InChIInChI=1S/C17H21ClF3N3O/c1-10-13(7-8-25-2)16(18)24-15(22-10)9-14(23-24)11-3-5-12(6-4-11)17(19,20)21/h9,11-12H,3-8H2,1-2H3
InChIKeyXVMPNQWGNMRLKM-UHFFFAOYSA-N
MW375.82 g/mol
LogP4.72
Rot. Bonds4

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

7-chloro-6-(2-methoxyethyl)-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 146588949) has the molecular formula C17H21ClF3N3O and a molecular weight of 375.82 g/mol. Its IUPAC name is 7-chloro-6-(2-methoxyethyl)-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-6-(2-methoxyethyl)-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine
PubChem CID146588949
Molecular FormulaC17H21ClF3N3O
Molecular Weight375.82 g/mol
Exact Mass375.13
IUPAC Name7-chloro-6-(2-methoxyethyl)-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine
SMILESCOCCc1c(C)nc2cc(C3CCC(C(F)(F)F)CC3)nn2c1Cl
InChIInChI=1S/C17H21ClF3N3O/c1-10-13(7-8-25-2)16(18)24-15(22-10)9-14(23-24)11-3-5-12(6-4-11)17(19,20)21/h9,11-12H,3-8H2,1-2H3
InChIKeyXVMPNQWGNMRLKM-UHFFFAOYSA-N
XLogP4.72
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.82
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-(2-methoxyethyl)-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-6-(2-methoxyethyl)-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine (CID 146588949) is 7-chloro-6-(2-methoxyethyl)-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-6-(2-methoxyethyl)-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-6-(2-methoxyethyl)-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine is COCCc1c(C)nc2cc(C3CCC(C(F)(F)F)CC3)nn2c1Cl.
What is the InChIKey of 7-chloro-6-(2-methoxyethyl)-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is XVMPNQWGNMRLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClF3N3O/c1-10-13(7-8-25-2)16(18)24-15(22-10)9-14(23-24)11-3-5-12(6-4-11)17(19,20)21/h9,11-12H,3-8H2,1-2H3.
What are the key properties of 7-chloro-6-(2-methoxyethyl)-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine?
7-chloro-6-(2-methoxyethyl)-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 375.82 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-(2-methoxyethyl)-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 146588949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).