methyl 5-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate

C9H10N4O2 — CID 129298481

IUPACmethyl 5-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCNc1ccn2ncc(C(=O)OC)c2n1
InChIInChI=1S/C9H10N4O2/c1-10-7-3-4-13-8(12-7)6(5-11-13)9(14)15-2/h3-5H,1-2H3,(H,10,12)
InChIKeyQBETUKQMXMOFIQ-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.56
Rot. Bonds2

About methyl 5-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate

methyl 5-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 129298481) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is methyl 5-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID129298481
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Namemethyl 5-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCNc1ccn2ncc(C(=O)OC)c2n1
InChIInChI=1S/C9H10N4O2/c1-10-7-3-4-13-8(12-7)6(5-11-13)9(14)15-2/h3-5H,1-2H3,(H,10,12)
InChIKeyQBETUKQMXMOFIQ-UHFFFAOYSA-N
XLogP0.56
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of methyl 5-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 129298481) is methyl 5-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for methyl 5-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for methyl 5-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate is CNc1ccn2ncc(C(=O)OC)c2n1.
What is the InChIKey of methyl 5-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is QBETUKQMXMOFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-10-7-3-4-13-8(12-7)6(5-11-13)9(14)15-2/h3-5H,1-2H3,(H,10,12).
What are the key properties of methyl 5-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
methyl 5-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 206.20 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 129298481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).