5-tert-butyl-3-(4-chlorophenyl)-7-imidazol-1-ylpyrazolo[1,5-a]pyrimidine

C19H18ClN5 — CID 4890565

IUPAC5-tert-butyl-3-(4-chlorophenyl)-7-imidazol-1-ylpyrazolo[1,5-a]pyrimidine
SMILESCC(C)(C)c1cc(-n2ccnc2)n2ncc(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C19H18ClN5/c1-19(2,3)16-10-17(24-9-8-21-12-24)25-18(23-16)15(11-22-25)13-4-6-14(20)7-5-13/h4-12H,1-3H3
InChIKeyOZZLTBKKGSIRRS-UHFFFAOYSA-N
MW351.84 g/mol
LogP4.53
Rot. Bonds2

About 5-tert-butyl-3-(4-chlorophenyl)-7-imidazol-1-ylpyrazolo[1,5-a]pyrimidine

5-tert-butyl-3-(4-chlorophenyl)-7-imidazol-1-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 4890565) has the molecular formula C19H18ClN5 and a molecular weight of 351.84 g/mol. Its IUPAC name is 5-tert-butyl-3-(4-chlorophenyl)-7-imidazol-1-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-tert-butyl-3-(4-chlorophenyl)-7-imidazol-1-ylpyrazolo[1,5-a]pyrimidine
PubChem CID4890565
Molecular FormulaC19H18ClN5
Molecular Weight351.84 g/mol
Exact Mass351.13
IUPAC Name5-tert-butyl-3-(4-chlorophenyl)-7-imidazol-1-ylpyrazolo[1,5-a]pyrimidine
SMILESCC(C)(C)c1cc(-n2ccnc2)n2ncc(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C19H18ClN5/c1-19(2,3)16-10-17(24-9-8-21-12-24)25-18(23-16)15(11-22-25)13-4-6-14(20)7-5-13/h4-12H,1-3H3
InChIKeyOZZLTBKKGSIRRS-UHFFFAOYSA-N
XLogP4.53
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-(4-chlorophenyl)-7-imidazol-1-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-tert-butyl-3-(4-chlorophenyl)-7-imidazol-1-ylpyrazolo[1,5-a]pyrimidine (CID 4890565) is 5-tert-butyl-3-(4-chlorophenyl)-7-imidazol-1-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-tert-butyl-3-(4-chlorophenyl)-7-imidazol-1-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-tert-butyl-3-(4-chlorophenyl)-7-imidazol-1-ylpyrazolo[1,5-a]pyrimidine is CC(C)(C)c1cc(-n2ccnc2)n2ncc(-c3ccc(Cl)cc3)c2n1.
What is the InChIKey of 5-tert-butyl-3-(4-chlorophenyl)-7-imidazol-1-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is OZZLTBKKGSIRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5/c1-19(2,3)16-10-17(24-9-8-21-12-24)25-18(23-16)15(11-22-25)13-4-6-14(20)7-5-13/h4-12H,1-3H3.
What are the key properties of 5-tert-butyl-3-(4-chlorophenyl)-7-imidazol-1-ylpyrazolo[1,5-a]pyrimidine?
5-tert-butyl-3-(4-chlorophenyl)-7-imidazol-1-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 351.84 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-(4-chlorophenyl)-7-imidazol-1-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4890565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).