1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazol-4-amine

C15H23N7 — CID 14726863

IUPAC1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazol-4-amine
SMILESNc1cnn(CCCCN2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C15H23N7/c16-14-12-19-22(13-14)7-2-1-6-20-8-10-21(11-9-20)15-17-4-3-5-18-15/h3-5,12-13H,1-2,6-11,16H2
InChIKeyZIQGOFVRBXXVAD-UHFFFAOYSA-N
MW301.40 g/mol
LogP0.86
Rot. Bonds6

About 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazol-4-amine

1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazol-4-amine (PubChem CID 14726863) has the molecular formula C15H23N7 and a molecular weight of 301.40 g/mol. Its IUPAC name is 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazol-4-amine
PubChem CID14726863
Molecular FormulaC15H23N7
Molecular Weight301.40 g/mol
Exact Mass301.20
IUPAC Name1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazol-4-amine
SMILESNc1cnn(CCCCN2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C15H23N7/c16-14-12-19-22(13-14)7-2-1-6-20-8-10-21(11-9-20)15-17-4-3-5-18-15/h3-5,12-13H,1-2,6-11,16H2
InChIKeyZIQGOFVRBXXVAD-UHFFFAOYSA-N
XLogP0.86
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazol-4-amine?
The IUPAC name of 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazol-4-amine (CID 14726863) is 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazol-4-amine.
What is the SMILES notation for 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazol-4-amine?
The canonical SMILES for 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazol-4-amine is Nc1cnn(CCCCN2CCN(c3ncccn3)CC2)c1.
What is the InChIKey of 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazol-4-amine?
The InChIKey is ZIQGOFVRBXXVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7/c16-14-12-19-22(13-14)7-2-1-6-20-8-10-21(11-9-20)15-17-4-3-5-18-15/h3-5,12-13H,1-2,6-11,16H2.
What are the key properties of 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazol-4-amine?
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazol-4-amine has a molecular weight of 301.40 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazol-4-amine is sourced from PubChem (CID 14726863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).