ethyl 2-methyl-7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate

C14H19N5O2 — CID 136847620

IUPACethyl 2-methyl-7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(C)nn2c1NCCC2c1ccnn1C
InChIInChI=1S/C14H19N5O2/c1-4-21-14(20)12-9(2)17-19-11(5-7-15-13(12)19)10-6-8-16-18(10)3/h6,8,11,15H,4-5,7H2,1-3H3
InChIKeyKZKSGYQGUMRBNJ-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.51
Rot. Bonds3

About ethyl 2-methyl-7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 2-methyl-7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 136847620) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is ethyl 2-methyl-7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID136847620
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Nameethyl 2-methyl-7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(C)nn2c1NCCC2c1ccnn1C
InChIInChI=1S/C14H19N5O2/c1-4-21-14(20)12-9(2)17-19-11(5-7-15-13(12)19)10-6-8-16-18(10)3/h6,8,11,15H,4-5,7H2,1-3H3
InChIKeyKZKSGYQGUMRBNJ-UHFFFAOYSA-N
XLogP1.51
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-methyl-7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 2-methyl-7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 136847620) is ethyl 2-methyl-7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1c(C)nn2c1NCCC2c1ccnn1C.
What is the InChIKey of ethyl 2-methyl-7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is KZKSGYQGUMRBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-4-21-14(20)12-9(2)17-19-11(5-7-15-13(12)19)10-6-8-16-18(10)3/h6,8,11,15H,4-5,7H2,1-3H3.
What are the key properties of ethyl 2-methyl-7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 2-methyl-7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 289.34 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 136847620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).