5-piperazin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C13H16N8 — CID 71108858

IUPAC5-piperazin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1cc(C2CNCCN2)nc2c(-c3cn[nH]c3)cnn12
InChIInChI=1S/C13H16N8/c14-12-3-10(11-7-15-1-2-16-11)20-13-9(6-19-21(12)13)8-4-17-18-5-8/h3-6,11,15-16H,1-2,7,14H2,(H,17,18)
InChIKeyWEKJMTQFUDQDJU-UHFFFAOYSA-N
MW284.33 g/mol
LogP-0.06
Rot. Bonds2

About 5-piperazin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

5-piperazin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 71108858) has the molecular formula C13H16N8 and a molecular weight of 284.33 g/mol. Its IUPAC name is 5-piperazin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-piperazin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID71108858
Molecular FormulaC13H16N8
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name5-piperazin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1cc(C2CNCCN2)nc2c(-c3cn[nH]c3)cnn12
InChIInChI=1S/C13H16N8/c14-12-3-10(11-7-15-1-2-16-11)20-13-9(6-19-21(12)13)8-4-17-18-5-8/h3-6,11,15-16H,1-2,7,14H2,(H,17,18)
InChIKeyWEKJMTQFUDQDJU-UHFFFAOYSA-N
XLogP-0.06
TPSA108.95 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 5-0.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-piperazin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-piperazin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 71108858) is 5-piperazin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-piperazin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-piperazin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is Nc1cc(C2CNCCN2)nc2c(-c3cn[nH]c3)cnn12.
What is the InChIKey of 5-piperazin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is WEKJMTQFUDQDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N8/c14-12-3-10(11-7-15-1-2-16-11)20-13-9(6-19-21(12)13)8-4-17-18-5-8/h3-6,11,15-16H,1-2,7,14H2,(H,17,18).
What are the key properties of 5-piperazin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-piperazin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 284.33 g/mol, XLogP of -0.06, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperazin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 71108858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).