methyl 2,5,7-trimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate

C11H17N3O2 — CID 136837831

IUPACmethyl 2,5,7-trimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCOC(=O)c1c(C)nn2c1NC(C)CC2C
InChIInChI=1S/C11H17N3O2/c1-6-5-7(2)14-10(12-6)9(8(3)13-14)11(15)16-4/h6-7,12H,5H2,1-4H3
InChIKeyNJIMGSQLQYUDRW-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.74
Rot. Bonds1

About methyl 2,5,7-trimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate

methyl 2,5,7-trimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 136837831) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is methyl 2,5,7-trimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,5,7-trimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID136837831
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Namemethyl 2,5,7-trimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCOC(=O)c1c(C)nn2c1NC(C)CC2C
InChIInChI=1S/C11H17N3O2/c1-6-5-7(2)14-10(12-6)9(8(3)13-14)11(15)16-4/h6-7,12H,5H2,1-4H3
InChIKeyNJIMGSQLQYUDRW-UHFFFAOYSA-N
XLogP1.74
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2,5,7-trimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of methyl 2,5,7-trimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 136837831) is methyl 2,5,7-trimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for methyl 2,5,7-trimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for methyl 2,5,7-trimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate is COC(=O)c1c(C)nn2c1NC(C)CC2C.
What is the InChIKey of methyl 2,5,7-trimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is NJIMGSQLQYUDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-6-5-7(2)14-10(12-6)9(8(3)13-14)11(15)16-4/h6-7,12H,5H2,1-4H3.
What are the key properties of methyl 2,5,7-trimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate?
methyl 2,5,7-trimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 223.28 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,5,7-trimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 136837831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).