2-tert-butyl-7-chloro-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine

C12H16ClN3O — CID 104621668

IUPAC2-tert-butyl-7-chloro-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine
SMILESCOCc1cc(Cl)n2nc(C(C)(C)C)cc2n1
InChIInChI=1S/C12H16ClN3O/c1-12(2,3)9-6-11-14-8(7-17-4)5-10(13)16(11)15-9/h5-6H,7H2,1-4H3
InChIKeyAEPJTOAIQNBYDK-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.83
Rot. Bonds2

About 2-tert-butyl-7-chloro-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine

2-tert-butyl-7-chloro-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 104621668) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-tert-butyl-7-chloro-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-7-chloro-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID104621668
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name2-tert-butyl-7-chloro-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine
SMILESCOCc1cc(Cl)n2nc(C(C)(C)C)cc2n1
InChIInChI=1S/C12H16ClN3O/c1-12(2,3)9-6-11-14-8(7-17-4)5-10(13)16(11)15-9/h5-6H,7H2,1-4H3
InChIKeyAEPJTOAIQNBYDK-UHFFFAOYSA-N
XLogP2.83
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-chloro-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-tert-butyl-7-chloro-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine (CID 104621668) is 2-tert-butyl-7-chloro-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-tert-butyl-7-chloro-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-tert-butyl-7-chloro-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine is COCc1cc(Cl)n2nc(C(C)(C)C)cc2n1.
What is the InChIKey of 2-tert-butyl-7-chloro-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is AEPJTOAIQNBYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-12(2,3)9-6-11-14-8(7-17-4)5-10(13)16(11)15-9/h5-6H,7H2,1-4H3.
What are the key properties of 2-tert-butyl-7-chloro-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine?
2-tert-butyl-7-chloro-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 253.73 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-chloro-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 104621668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).