tert-butyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate

C16H21N5O3 — CID 175940234

IUPACtert-butyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNCC1C(=O)c1cnn2cccnc12
InChIInChI=1S/C16H21N5O3/c1-16(2,3)24-15(23)20-8-6-17-10-12(20)13(22)11-9-19-21-7-4-5-18-14(11)21/h4-5,7,9,12,17H,6,8,10H2,1-3H3
InChIKeyLTQNPXXTRXUWML-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.12
Rot. Bonds2

About tert-butyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate

tert-butyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate (PubChem CID 175940234) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is tert-butyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate
PubChem CID175940234
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Nametert-butyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNCC1C(=O)c1cnn2cccnc12
InChIInChI=1S/C16H21N5O3/c1-16(2,3)24-15(23)20-8-6-17-10-12(20)13(22)11-9-19-21-7-4-5-18-14(11)21/h4-5,7,9,12,17H,6,8,10H2,1-3H3
InChIKeyLTQNPXXTRXUWML-UHFFFAOYSA-N
XLogP1.12
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate (CID 175940234) is tert-butyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCNCC1C(=O)c1cnn2cccnc12.
What is the InChIKey of tert-butyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate?
The InChIKey is LTQNPXXTRXUWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-16(2,3)24-15(23)20-8-6-17-10-12(20)13(22)11-9-19-21-7-4-5-18-14(11)21/h4-5,7,9,12,17H,6,8,10H2,1-3H3.
What are the key properties of tert-butyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate?
tert-butyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate has a molecular weight of 331.38 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 175940234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).