(2-butoxy-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanol

C12H17N3O2 — CID 112756898

IUPAC(2-butoxy-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanol
SMILESCCCCOc1cc2ncc(CO)c(C)n2n1
InChIInChI=1S/C12H17N3O2/c1-3-4-5-17-12-6-11-13-7-10(8-16)9(2)15(11)14-12/h6-7,16H,3-5,8H2,1-2H3
InChIKeyMKKSWUHDNRMVMN-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.71
Rot. Bonds5

About (2-butoxy-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanol

(2-butoxy-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanol (PubChem CID 112756898) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is (2-butoxy-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanol.

Molecular Properties

Compound Name(2-butoxy-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanol
PubChem CID112756898
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name(2-butoxy-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanol
SMILESCCCCOc1cc2ncc(CO)c(C)n2n1
InChIInChI=1S/C12H17N3O2/c1-3-4-5-17-12-6-11-13-7-10(8-16)9(2)15(11)14-12/h6-7,16H,3-5,8H2,1-2H3
InChIKeyMKKSWUHDNRMVMN-UHFFFAOYSA-N
XLogP1.71
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-butoxy-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanol?
The IUPAC name of (2-butoxy-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanol (CID 112756898) is (2-butoxy-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanol.
What is the SMILES notation for (2-butoxy-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanol?
The canonical SMILES for (2-butoxy-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanol is CCCCOc1cc2ncc(CO)c(C)n2n1.
What is the InChIKey of (2-butoxy-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanol?
The InChIKey is MKKSWUHDNRMVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-3-4-5-17-12-6-11-13-7-10(8-16)9(2)15(11)14-12/h6-7,16H,3-5,8H2,1-2H3.
What are the key properties of (2-butoxy-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanol?
(2-butoxy-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanol has a molecular weight of 235.29 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butoxy-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanol is sourced from PubChem (CID 112756898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).