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

C10H15N3O2 — CID 136558343

IUPACethyl 6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c1NCC(C)C2
InChIInChI=1S/C10H15N3O2/c1-3-15-10(14)8-5-12-13-6-7(2)4-11-9(8)13/h5,7,11H,3-4,6H2,1-2H3
InChIKeySYPAUNYHHWVJBG-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.12
Rot. Bonds2

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

ethyl 6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 136558343) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is ethyl 6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID136558343
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Nameethyl 6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c1NCC(C)C2
InChIInChI=1S/C10H15N3O2/c1-3-15-10(14)8-5-12-13-6-7(2)4-11-9(8)13/h5,7,11H,3-4,6H2,1-2H3
InChIKeySYPAUNYHHWVJBG-UHFFFAOYSA-N
XLogP1.12
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 974047
Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate
CID 271299
Ethyl 5-amino-1-(2-hydroxyethyl)-1H-pyrazole-4-carboxylate
CID 429881
Ethyl 1-methyl-5-(propan-2-ylcarbamoylamino)pyrazole-4-carboxylate
CID 44574653
ethyl 5-[(2,2-dimethylpropanoyl)amino]-1-{2-[(2,2-dimethylpropanoyl)oxy]ethyl}-1H-pyrazole-4-carboxylate
CID 3244478
Methyl 4-hydroxy-2-(piperidin-4-yl)pyrazolo[1,5-a][1,3,5]triazine-8-carboxylate
CID 136123530
3,6-Diethyl 7-aminopyrazolo(1,5-a)pyrimidine-3,6-dicarboxylate
CID 2816389
methyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate
CID 15140326
ethyl 4H,5H,6H,7H-pyrazolo(1,5-a)pyrimidine-3-carboxylate
CID 135741791
5-Methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 2980262
US11390631, Example 438
CID 126482386
US11390631, Example 401
CID 126482572

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 136558343) is ethyl 6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2c1NCC(C)C2.
What is the InChIKey of ethyl 6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is SYPAUNYHHWVJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-3-15-10(14)8-5-12-13-6-7(2)4-11-9(8)13/h5,7,11H,3-4,6H2,1-2H3.
What are the key properties of ethyl 6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 209.25 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 136558343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).