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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Related Compounds

3-[4-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-amine
CID 62132366
5-bromo-2-[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine
CID 59144822
(5S)-5-methyl-2-[4-(5-pyrazol-1-ylpentyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole
CID 96558661
1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 71779949
1-(1-methylimidazol-2-yl)piperidine;dihydrochloride
CID 141222572
1-(2-ethoxyethyl)-2-[4-(4-pyrazol-1-ylbutyl)-1,4-diazepan-1-yl]benzimidazole
CID 10476696
N-[(1-methylimidazol-2-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 115608318
1-(2-ethylphenyl)-4-(2-pyrazol-1-ylethyl)piperazine
CID 118789531
1-pentylpyrazole;propane
CID 156859541
1-[3-(1-methylimidazol-2-yl)sulfanylpropyl]piperidine
CID 141130542
(2S)-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 95314172
1-methylsulfonyl-4-(3-pyrazol-1-ylpropyl)-1,4-diazepane
CID 91833748

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).