methyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylate

C15H13N3O2 — CID 771929

IUPACmethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1cc2nc(-c3ccccc3)cc(C)n2n1
InChIInChI=1S/C15H13N3O2/c1-10-8-12(11-6-4-3-5-7-11)16-14-9-13(15(19)20-2)17-18(10)14/h3-9H,1-2H3
InChIKeyQPCZVFDRLFBYKQ-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.49
Rot. Bonds2

About methyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylate

methyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 771929) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is methyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID771929
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Namemethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1cc2nc(-c3ccccc3)cc(C)n2n1
InChIInChI=1S/C15H13N3O2/c1-10-8-12(11-6-4-3-5-7-11)16-14-9-13(15(19)20-2)17-18(10)14/h3-9H,1-2H3
InChIKeyQPCZVFDRLFBYKQ-UHFFFAOYSA-N
XLogP2.49
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of methyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylate (CID 771929) is methyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylate is COC(=O)c1cc2nc(-c3ccccc3)cc(C)n2n1.
What is the InChIKey of methyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is QPCZVFDRLFBYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-10-8-12(11-6-4-3-5-7-11)16-14-9-13(15(19)20-2)17-18(10)14/h3-9H,1-2H3.
What are the key properties of methyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylate?
methyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 267.29 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 771929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).