2-[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine

C15H22N6 — CID 11044366

IUPAC2-[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine
SMILESc1cnc(N2CCN(CCCCn3cccn3)CC2)nc1
InChIInChI=1S/C15H22N6/c1(2-9-21-10-4-7-18-21)8-19-11-13-20(14-12-19)15-16-5-3-6-17-15/h3-7,10H,1-2,8-9,11-14H2
InChIKeyMVLCWTIFKARXPZ-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.28
Rot. Bonds6

About 2-[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine

2-[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine (PubChem CID 11044366) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine
PubChem CID11044366
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name2-[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine
SMILESc1cnc(N2CCN(CCCCn3cccn3)CC2)nc1
InChIInChI=1S/C15H22N6/c1(2-9-21-10-4-7-18-21)8-19-11-13-20(14-12-19)15-16-5-3-6-17-15/h3-7,10H,1-2,8-9,11-14H2
InChIKeyMVLCWTIFKARXPZ-UHFFFAOYSA-N
XLogP1.28
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 2-[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine (CID 11044366) is 2-[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine is c1cnc(N2CCN(CCCCn3cccn3)CC2)nc1.
What is the InChIKey of 2-[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine?
The InChIKey is MVLCWTIFKARXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1(2-9-21-10-4-7-18-21)8-19-11-13-20(14-12-19)15-16-5-3-6-17-15/h3-7,10H,1-2,8-9,11-14H2.
What are the key properties of 2-[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine?
2-[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine has a molecular weight of 286.38 g/mol, XLogP of 1.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 11044366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).