1-(1-methylimidazol-2-yl)-4-(4-pyrazol-1-ylbutyl)piperazine

C15H24N6 — CID 19751693

IUPAC1-(1-methylimidazol-2-yl)-4-(4-pyrazol-1-ylbutyl)piperazine
SMILESCn1ccnc1N1CCN(CCCCn2cccn2)CC1
InChIInChI=1S/C15H24N6/c1-18-10-6-16-15(18)20-13-11-19(12-14-20)7-2-3-8-21-9-4-5-17-21/h4-6,9-10H,2-3,7-8,11-14H2,1H3
InChIKeyQJVSNMGUURHXTJ-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.22
Rot. Bonds6

About 1-(1-methylimidazol-2-yl)-4-(4-pyrazol-1-ylbutyl)piperazine

1-(1-methylimidazol-2-yl)-4-(4-pyrazol-1-ylbutyl)piperazine (PubChem CID 19751693) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)-4-(4-pyrazol-1-ylbutyl)piperazine.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)-4-(4-pyrazol-1-ylbutyl)piperazine
PubChem CID19751693
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name1-(1-methylimidazol-2-yl)-4-(4-pyrazol-1-ylbutyl)piperazine
SMILESCn1ccnc1N1CCN(CCCCn2cccn2)CC1
InChIInChI=1S/C15H24N6/c1-18-10-6-16-15(18)20-13-11-19(12-14-20)7-2-3-8-21-9-4-5-17-21/h4-6,9-10H,2-3,7-8,11-14H2,1H3
InChIKeyQJVSNMGUURHXTJ-UHFFFAOYSA-N
XLogP1.22
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.22
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 1-(1-methylimidazol-2-yl)-4-(4-pyrazol-1-ylbutyl)piperazine?
The IUPAC name of 1-(1-methylimidazol-2-yl)-4-(4-pyrazol-1-ylbutyl)piperazine (CID 19751693) is 1-(1-methylimidazol-2-yl)-4-(4-pyrazol-1-ylbutyl)piperazine.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)-4-(4-pyrazol-1-ylbutyl)piperazine?
The canonical SMILES for 1-(1-methylimidazol-2-yl)-4-(4-pyrazol-1-ylbutyl)piperazine is Cn1ccnc1N1CCN(CCCCn2cccn2)CC1.
What is the InChIKey of 1-(1-methylimidazol-2-yl)-4-(4-pyrazol-1-ylbutyl)piperazine?
The InChIKey is QJVSNMGUURHXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-18-10-6-16-15(18)20-13-11-19(12-14-20)7-2-3-8-21-9-4-5-17-21/h4-6,9-10H,2-3,7-8,11-14H2,1H3.
What are the key properties of 1-(1-methylimidazol-2-yl)-4-(4-pyrazol-1-ylbutyl)piperazine?
1-(1-methylimidazol-2-yl)-4-(4-pyrazol-1-ylbutyl)piperazine has a molecular weight of 288.40 g/mol, XLogP of 1.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)-4-(4-pyrazol-1-ylbutyl)piperazine is sourced from PubChem (CID 19751693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).