2-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)acetic acid

C12H15N5O2 — CID 115372013

IUPAC2-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)acetic acid
SMILESO=C(O)CN1CCN(c2ccn3nccc3n2)CC1
InChIInChI=1S/C12H15N5O2/c18-12(19)9-15-5-7-16(8-6-15)10-2-4-17-11(14-10)1-3-13-17/h1-4H,5-9H2,(H,18,19)
InChIKeyRTTJQCRFMZVKHF-UHFFFAOYSA-N
MW261.28 g/mol
LogP-0.06
Rot. Bonds3

About 2-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)acetic acid

2-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)acetic acid (PubChem CID 115372013) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)acetic acid
PubChem CID115372013
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name2-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)acetic acid
SMILESO=C(O)CN1CCN(c2ccn3nccc3n2)CC1
InChIInChI=1S/C12H15N5O2/c18-12(19)9-15-5-7-16(8-6-15)10-2-4-17-11(14-10)1-3-13-17/h1-4H,5-9H2,(H,18,19)
InChIKeyRTTJQCRFMZVKHF-UHFFFAOYSA-N
XLogP-0.06
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)acetic acid?
The IUPAC name of 2-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)acetic acid (CID 115372013) is 2-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)acetic acid?
The canonical SMILES for 2-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)acetic acid is O=C(O)CN1CCN(c2ccn3nccc3n2)CC1.
What is the InChIKey of 2-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)acetic acid?
The InChIKey is RTTJQCRFMZVKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c18-12(19)9-15-5-7-16(8-6-15)10-2-4-17-11(14-10)1-3-13-17/h1-4H,5-9H2,(H,18,19).
What are the key properties of 2-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)acetic acid?
2-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)acetic acid has a molecular weight of 261.28 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)acetic acid is sourced from PubChem (CID 115372013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).