ethyl 2-(ethylamino)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate

C15H21N5O2 — CID 134480594

IUPACethyl 2-(ethylamino)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCNc1nn2ccc(N3CCCC3)nc2c1C(=O)OCC
InChIInChI=1S/C15H21N5O2/c1-3-16-13-12(15(21)22-4-2)14-17-11(7-10-20(14)18-13)19-8-5-6-9-19/h7,10H,3-6,8-9H2,1-2H3,(H,16,18)
InChIKeyKTEXVJVIWAWHIQ-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.94
Rot. Bonds5

About ethyl 2-(ethylamino)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 2-(ethylamino)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 134480594) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is ethyl 2-(ethylamino)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(ethylamino)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID134480594
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Nameethyl 2-(ethylamino)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCNc1nn2ccc(N3CCCC3)nc2c1C(=O)OCC
InChIInChI=1S/C15H21N5O2/c1-3-16-13-12(15(21)22-4-2)14-17-11(7-10-20(14)18-13)19-8-5-6-9-19/h7,10H,3-6,8-9H2,1-2H3,(H,16,18)
InChIKeyKTEXVJVIWAWHIQ-UHFFFAOYSA-N
XLogP1.94
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethylamino)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 2-(ethylamino)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 134480594) is ethyl 2-(ethylamino)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 2-(ethylamino)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 2-(ethylamino)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate is CCNc1nn2ccc(N3CCCC3)nc2c1C(=O)OCC.
What is the InChIKey of ethyl 2-(ethylamino)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is KTEXVJVIWAWHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-3-16-13-12(15(21)22-4-2)14-17-11(7-10-20(14)18-13)19-8-5-6-9-19/h7,10H,3-6,8-9H2,1-2H3,(H,16,18).
What are the key properties of ethyl 2-(ethylamino)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 2-(ethylamino)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 303.37 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethylamino)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 134480594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).