7-chloro-2-cyclobutyl-5-methylpyrazolo[1,5-a]pyrimidine

C11H12ClN3 — CID 82269835

IUPAC7-chloro-2-cyclobutyl-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(Cl)n2nc(C3CCC3)cc2n1
InChIInChI=1S/C11H12ClN3/c1-7-5-10(12)15-11(13-7)6-9(14-15)8-3-2-4-8/h5-6,8H,2-4H2,1H3
InChIKeyDZKZXJNMLMZBKD-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.96
Rot. Bonds1

About 7-chloro-2-cyclobutyl-5-methylpyrazolo[1,5-a]pyrimidine

7-chloro-2-cyclobutyl-5-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 82269835) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 7-chloro-2-cyclobutyl-5-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-2-cyclobutyl-5-methylpyrazolo[1,5-a]pyrimidine
PubChem CID82269835
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name7-chloro-2-cyclobutyl-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(Cl)n2nc(C3CCC3)cc2n1
InChIInChI=1S/C11H12ClN3/c1-7-5-10(12)15-11(13-7)6-9(14-15)8-3-2-4-8/h5-6,8H,2-4H2,1H3
InChIKeyDZKZXJNMLMZBKD-UHFFFAOYSA-N
XLogP2.96
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-2-cyclopentyl-5-methylpyrazolo[1,5-a]pyrimidine
CID 82269836
7-chloro-2-cyclobutyl-5-propylpyrazolo[1,5-a]pyrimidine
CID 82269944
7-chloro-2-cyclopropyl-5,6-dimethylpyrazolo[1,5-a]pyrimidine
CID 82269862
7-chloro-5-cyclobutyl-2-(1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine
CID 154969582
tert-butyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate
CID 76668456
7-tert-butyl-5-chloro-2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine
CID 165476278
7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidine
CID 83702760
7-chloro-2-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine
CID 140990710
(2-cyclobutyl-5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)hydrazine
CID 82270323
N'-(2-cyclopropyl-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
CID 82270688
7-chloro-5-cyclopentyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
CID 114514726
(7-amino-2-cyclopropyl-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanol
CID 58034379

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-cyclobutyl-5-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-2-cyclobutyl-5-methylpyrazolo[1,5-a]pyrimidine (CID 82269835) is 7-chloro-2-cyclobutyl-5-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-2-cyclobutyl-5-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-2-cyclobutyl-5-methylpyrazolo[1,5-a]pyrimidine is Cc1cc(Cl)n2nc(C3CCC3)cc2n1.
What is the InChIKey of 7-chloro-2-cyclobutyl-5-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is DZKZXJNMLMZBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-7-5-10(12)15-11(13-7)6-9(14-15)8-3-2-4-8/h5-6,8H,2-4H2,1H3.
What are the key properties of 7-chloro-2-cyclobutyl-5-methylpyrazolo[1,5-a]pyrimidine?
7-chloro-2-cyclobutyl-5-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 221.69 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-cyclobutyl-5-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 82269835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).