3-bromo-2-cyclobutyl-5-methylpyrazolo[1,5-c]pyrimidine

C11H12BrN3 — CID 134471727

IUPAC3-bromo-2-cyclobutyl-5-methylpyrazolo[1,5-c]pyrimidine
SMILESCc1cc2c(Br)c(C3CCC3)nn2cn1
InChIInChI=1S/C11H12BrN3/c1-7-5-9-10(12)11(8-3-2-4-8)14-15(9)6-13-7/h5-6,8H,2-4H2,1H3
InChIKeyNUBKSYBLVMEOED-UHFFFAOYSA-N
MW266.14 g/mol
LogP3.07
Rot. Bonds1

About 3-bromo-2-cyclobutyl-5-methylpyrazolo[1,5-c]pyrimidine

3-bromo-2-cyclobutyl-5-methylpyrazolo[1,5-c]pyrimidine (PubChem CID 134471727) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is 3-bromo-2-cyclobutyl-5-methylpyrazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name3-bromo-2-cyclobutyl-5-methylpyrazolo[1,5-c]pyrimidine
PubChem CID134471727
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name3-bromo-2-cyclobutyl-5-methylpyrazolo[1,5-c]pyrimidine
SMILESCc1cc2c(Br)c(C3CCC3)nn2cn1
InChIInChI=1S/C11H12BrN3/c1-7-5-9-10(12)11(8-3-2-4-8)14-15(9)6-13-7/h5-6,8H,2-4H2,1H3
InChIKeyNUBKSYBLVMEOED-UHFFFAOYSA-N
XLogP3.07
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2295889
5-Methyl-7-(4-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 930473
US11186582, Example 139
CID 118471004
US11186582, Example 132
CID 118471108
US11186582, Example 145
CID 118471375
US11186582, Example 144
CID 118471436
US11186582, Example 174
CID 118479589
US11186582, Example 186
CID 126615635
5-(3-Bromophenyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 15991448
5-bromo-N,N-dimethyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
CID 164613779
US11186582, Example 171
CID 118471194
US11186582, Example 204
CID 118471362

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-cyclobutyl-5-methylpyrazolo[1,5-c]pyrimidine?
The IUPAC name of 3-bromo-2-cyclobutyl-5-methylpyrazolo[1,5-c]pyrimidine (CID 134471727) is 3-bromo-2-cyclobutyl-5-methylpyrazolo[1,5-c]pyrimidine.
What is the SMILES notation for 3-bromo-2-cyclobutyl-5-methylpyrazolo[1,5-c]pyrimidine?
The canonical SMILES for 3-bromo-2-cyclobutyl-5-methylpyrazolo[1,5-c]pyrimidine is Cc1cc2c(Br)c(C3CCC3)nn2cn1.
What is the InChIKey of 3-bromo-2-cyclobutyl-5-methylpyrazolo[1,5-c]pyrimidine?
The InChIKey is NUBKSYBLVMEOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c1-7-5-9-10(12)11(8-3-2-4-8)14-15(9)6-13-7/h5-6,8H,2-4H2,1H3.
What are the key properties of 3-bromo-2-cyclobutyl-5-methylpyrazolo[1,5-c]pyrimidine?
3-bromo-2-cyclobutyl-5-methylpyrazolo[1,5-c]pyrimidine has a molecular weight of 266.14 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-cyclobutyl-5-methylpyrazolo[1,5-c]pyrimidine is sourced from PubChem (CID 134471727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).