phenyl 4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazine-1-carboxylate

C17H17N5O2 — CID 110874085

IUPACphenyl 4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazine-1-carboxylate
SMILESO=C(Oc1ccccc1)N1CCN(c2ccnc3ccnn23)CC1
InChIInChI=1S/C17H17N5O2/c23-17(24-14-4-2-1-3-5-14)21-12-10-20(11-13-21)16-7-8-18-15-6-9-19-22(15)16/h1-9H,10-13H2
InChIKeyLVURYNWLVJCSMN-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.05
Rot. Bonds2

About phenyl 4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazine-1-carboxylate

phenyl 4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazine-1-carboxylate (PubChem CID 110874085) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is phenyl 4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazine-1-carboxylate
PubChem CID110874085
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Namephenyl 4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazine-1-carboxylate
SMILESO=C(Oc1ccccc1)N1CCN(c2ccnc3ccnn23)CC1
InChIInChI=1S/C17H17N5O2/c23-17(24-14-4-2-1-3-5-14)21-12-10-20(11-13-21)16-7-8-18-15-6-9-19-22(15)16/h1-9H,10-13H2
InChIKeyLVURYNWLVJCSMN-UHFFFAOYSA-N
XLogP2.05
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of phenyl 4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazine-1-carboxylate?
The IUPAC name of phenyl 4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazine-1-carboxylate (CID 110874085) is phenyl 4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazine-1-carboxylate.
What is the SMILES notation for phenyl 4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazine-1-carboxylate?
The canonical SMILES for phenyl 4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazine-1-carboxylate is O=C(Oc1ccccc1)N1CCN(c2ccnc3ccnn23)CC1.
What is the InChIKey of phenyl 4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazine-1-carboxylate?
The InChIKey is LVURYNWLVJCSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c23-17(24-14-4-2-1-3-5-14)21-12-10-20(11-13-21)16-7-8-18-15-6-9-19-22(15)16/h1-9H,10-13H2.
What are the key properties of phenyl 4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazine-1-carboxylate?
phenyl 4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazine-1-carboxylate has a molecular weight of 323.36 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazine-1-carboxylate is sourced from PubChem (CID 110874085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).