1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-amine

C15H22FN7 — CID 59144901

IUPAC1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-amine
SMILESNc1cnn(CCCCN2CCN(c3ncc(F)cn3)CC2)c1
InChIInChI=1S/C15H22FN7/c16-13-9-18-15(19-10-13)22-7-5-21(6-8-22)3-1-2-4-23-12-14(17)11-20-23/h9-12H,1-8,17H2
InChIKeyXJVBEHAVPBMLPK-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.00
Rot. Bonds6

About 1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-amine

1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-amine (PubChem CID 59144901) has the molecular formula C15H22FN7 and a molecular weight of 319.39 g/mol. Its IUPAC name is 1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-amine
PubChem CID59144901
Molecular FormulaC15H22FN7
Molecular Weight319.39 g/mol
Exact Mass319.19
IUPAC Name1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-amine
SMILESNc1cnn(CCCCN2CCN(c3ncc(F)cn3)CC2)c1
InChIInChI=1S/C15H22FN7/c16-13-9-18-15(19-10-13)22-7-5-21(6-8-22)3-1-2-4-23-12-14(17)11-20-23/h9-12H,1-8,17H2
InChIKeyXJVBEHAVPBMLPK-UHFFFAOYSA-N
XLogP1.00
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-amine?
The IUPAC name of 1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-amine (CID 59144901) is 1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-amine.
What is the SMILES notation for 1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-amine?
The canonical SMILES for 1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-amine is Nc1cnn(CCCCN2CCN(c3ncc(F)cn3)CC2)c1.
What is the InChIKey of 1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-amine?
The InChIKey is XJVBEHAVPBMLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN7/c16-13-9-18-15(19-10-13)22-7-5-21(6-8-22)3-1-2-4-23-12-14(17)11-20-23/h9-12H,1-8,17H2.
What are the key properties of 1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-amine?
1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-amine has a molecular weight of 319.39 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-amine is sourced from PubChem (CID 59144901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).