3-piperazin-1-yl-1H-pyrazol-5-amine

C7H13N5 — CID 123624176

IUPAC3-piperazin-1-yl-1H-pyrazol-5-amine
SMILESNc1cc(N2CCNCC2)n[nH]1
InChIInChI=1S/C7H13N5/c8-6-5-7(11-10-6)12-3-1-9-2-4-12/h5,9H,1-4H2,(H3,8,10,11)
InChIKeyFYXKPIJGPDVERX-UHFFFAOYSA-N
MW167.22 g/mol
LogP-0.60
Rot. Bonds1

About 3-piperazin-1-yl-1H-pyrazol-5-amine

3-piperazin-1-yl-1H-pyrazol-5-amine (PubChem CID 123624176) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is 3-piperazin-1-yl-1H-pyrazol-5-amine.

Molecular Properties

Compound Name3-piperazin-1-yl-1H-pyrazol-5-amine
PubChem CID123624176
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC Name3-piperazin-1-yl-1H-pyrazol-5-amine
SMILESNc1cc(N2CCNCC2)n[nH]1
InChIInChI=1S/C7H13N5/c8-6-5-7(11-10-6)12-3-1-9-2-4-12/h5,9H,1-4H2,(H3,8,10,11)
InChIKeyFYXKPIJGPDVERX-UHFFFAOYSA-N
XLogP-0.60
TPSA69.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-1H-pyrazol-5-amine?
The IUPAC name of 3-piperazin-1-yl-1H-pyrazol-5-amine (CID 123624176) is 3-piperazin-1-yl-1H-pyrazol-5-amine.
What is the SMILES notation for 3-piperazin-1-yl-1H-pyrazol-5-amine?
The canonical SMILES for 3-piperazin-1-yl-1H-pyrazol-5-amine is Nc1cc(N2CCNCC2)n[nH]1.
What is the InChIKey of 3-piperazin-1-yl-1H-pyrazol-5-amine?
The InChIKey is FYXKPIJGPDVERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5/c8-6-5-7(11-10-6)12-3-1-9-2-4-12/h5,9H,1-4H2,(H3,8,10,11).
What are the key properties of 3-piperazin-1-yl-1H-pyrazol-5-amine?
3-piperazin-1-yl-1H-pyrazol-5-amine has a molecular weight of 167.22 g/mol, XLogP of -0.60, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-1H-pyrazol-5-amine is sourced from PubChem (CID 123624176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).