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

C14H19N5O2 — CID 136837842

IUPACmethyl 7-(1-ethylpyrazol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCn1cc(C2CCNc3c(C(=O)OC)c(C)nn32)cn1
InChIInChI=1S/C14H19N5O2/c1-4-18-8-10(7-16-18)11-5-6-15-13-12(14(20)21-3)9(2)17-19(11)13/h7-8,11,15H,4-6H2,1-3H3
InChIKeyMZOUDGXSURSIKU-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.60
Rot. Bonds3

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

methyl 7-(1-ethylpyrazol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 136837842) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is methyl 7-(1-ethylpyrazol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-(1-ethylpyrazol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID136837842
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Namemethyl 7-(1-ethylpyrazol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCn1cc(C2CCNc3c(C(=O)OC)c(C)nn32)cn1
InChIInChI=1S/C14H19N5O2/c1-4-18-8-10(7-16-18)11-5-6-15-13-12(14(20)21-3)9(2)17-19(11)13/h7-8,11,15H,4-6H2,1-3H3
InChIKeyMZOUDGXSURSIKU-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of methyl 7-(1-ethylpyrazol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of methyl 7-(1-ethylpyrazol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 136837842) is methyl 7-(1-ethylpyrazol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for methyl 7-(1-ethylpyrazol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for methyl 7-(1-ethylpyrazol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate is CCn1cc(C2CCNc3c(C(=O)OC)c(C)nn32)cn1.
What is the InChIKey of methyl 7-(1-ethylpyrazol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is MZOUDGXSURSIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-4-18-8-10(7-16-18)11-5-6-15-13-12(14(20)21-3)9(2)17-19(11)13/h7-8,11,15H,4-6H2,1-3H3.
What are the key properties of methyl 7-(1-ethylpyrazol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate?
methyl 7-(1-ethylpyrazol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 289.34 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(1-ethylpyrazol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 136837842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).