ethyl 2-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

C14H19N5O2 — CID 156904498

IUPACethyl 2-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(N2CCN(C)CC2)nn2cccnc12
InChIInChI=1S/C14H19N5O2/c1-3-21-14(20)11-12-15-5-4-6-19(12)16-13(11)18-9-7-17(2)8-10-18/h4-6H,3,7-10H2,1-2H3
InChIKeyHPATVIZNBZLROI-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.66
Rot. Bonds3

About ethyl 2-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 2-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 156904498) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is ethyl 2-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID156904498
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Nameethyl 2-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(N2CCN(C)CC2)nn2cccnc12
InChIInChI=1S/C14H19N5O2/c1-3-21-14(20)11-12-15-5-4-6-19(12)16-13(11)18-9-7-17(2)8-10-18/h4-6H,3,7-10H2,1-2H3
InChIKeyHPATVIZNBZLROI-UHFFFAOYSA-N
XLogP0.66
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 66850701
ethyl 2-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 71742950
ethyl 2-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 168899835
ethyl 2-(methanesulfonamido)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 150498169
ethyl 2-(6-propan-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 165166467
2-[(2R)-2-methylmorpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 164596251
pyridin-2-ylmethyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 86846448
2-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86822964
ethyl 2-[4-(dimethylsulfamoyl)-2-fluorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 174236384
[(2S)-2-cyanopropyl] 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 97066011
2-[(3S)-3-hydroxypiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 175860357
ethyl 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylate
CID 2762483

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 2-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 156904498) is ethyl 2-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 2-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 2-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1c(N2CCN(C)CC2)nn2cccnc12.
What is the InChIKey of ethyl 2-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is HPATVIZNBZLROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-3-21-14(20)11-12-15-5-4-6-19(12)16-13(11)18-9-7-17(2)8-10-18/h4-6H,3,7-10H2,1-2H3.
What are the key properties of ethyl 2-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 2-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 289.34 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 156904498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).