2-tert-butyl-5-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C12H17N3O2 — CID 2819067

IUPAC2-tert-butyl-5-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOCc1cc(=O)n2[nH]c(C(C)(C)C)cc2n1
InChIInChI=1S/C12H17N3O2/c1-12(2,3)9-6-10-13-8(7-17-4)5-11(16)15(10)14-9/h5-6,14H,7H2,1-4H3
InChIKeyNWKXPGXWHRGJTE-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.47
Rot. Bonds2

About 2-tert-butyl-5-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-tert-butyl-5-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 2819067) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-tert-butyl-5-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-tert-butyl-5-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID2819067
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-tert-butyl-5-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOCc1cc(=O)n2[nH]c(C(C)(C)C)cc2n1
InChIInChI=1S/C12H17N3O2/c1-12(2,3)9-6-10-13-8(7-17-4)5-11(16)15(10)14-9/h5-6,14H,7H2,1-4H3
InChIKeyNWKXPGXWHRGJTE-UHFFFAOYSA-N
XLogP1.47
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-tert-butyl-5-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 2819067) is 2-tert-butyl-5-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-tert-butyl-5-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-tert-butyl-5-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is COCc1cc(=O)n2[nH]c(C(C)(C)C)cc2n1.
What is the InChIKey of 2-tert-butyl-5-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is NWKXPGXWHRGJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-12(2,3)9-6-10-13-8(7-17-4)5-11(16)15(10)14-9/h5-6,14H,7H2,1-4H3.
What are the key properties of 2-tert-butyl-5-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-tert-butyl-5-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 235.29 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 2819067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).