1-[2-(imidazol-1-ylmethyl)hexyl]pyrazole

C13H20N4 — CID 57057005

IUPAC1-[2-(imidazol-1-ylmethyl)hexyl]pyrazole
SMILESCCCCC(Cn1ccnc1)Cn1cccn1
InChIInChI=1S/C13H20N4/c1-2-3-5-13(10-16-9-7-14-12-16)11-17-8-4-6-15-17/h4,6-9,12-13H,2-3,5,10-11H2,1H3
InChIKeyGPFJUXLWAKEVEM-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.59
Rot. Bonds7

About 1-[2-(imidazol-1-ylmethyl)hexyl]pyrazole

1-[2-(imidazol-1-ylmethyl)hexyl]pyrazole (PubChem CID 57057005) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-[2-(imidazol-1-ylmethyl)hexyl]pyrazole.

Molecular Properties

Compound Name1-[2-(imidazol-1-ylmethyl)hexyl]pyrazole
PubChem CID57057005
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name1-[2-(imidazol-1-ylmethyl)hexyl]pyrazole
SMILESCCCCC(Cn1ccnc1)Cn1cccn1
InChIInChI=1S/C13H20N4/c1-2-3-5-13(10-16-9-7-14-12-16)11-17-8-4-6-15-17/h4,6-9,12-13H,2-3,5,10-11H2,1H3
InChIKeyGPFJUXLWAKEVEM-UHFFFAOYSA-N
XLogP2.59
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(imidazol-1-ylmethyl)hexan-1-ol
CID 134251043
1-[2-(imidazol-1-ylmethyl)-4-methylpentyl]pyrazole
CID 57138453
1-(2-ethyltridecyl)imidazole;hydrochloride
CID 175493455
2-ethyl-N-(3-imidazol-1-ylpropyl)hexan-1-amine
CID 114004575
1-imidazol-1-yl-N-(2-pyrazol-1-ylethyl)propan-2-amine
CID 61491585
1-[2-(bromomethyl)butyl]imidazole
CID 64995115
1-imidazol-1-ylpentan-2-amine
CID 62041882
N-(1-pyrazol-1-ylpropan-2-yl)hexan-2-amine
CID 43791834
2-(4-imidazol-1-ylbutyl)heptan-1-ol
CID 174409520
1-(3-butoxy-2-methoxypropyl)imidazole
CID 163854662
1-(2-propylsulfanyldecyl)imidazole
CID 21397909
N-(1-imidazol-1-ylpropan-2-yl)pentan-1-amine
CID 43749599

Frequently Asked Questions

What is the IUPAC name of 1-[2-(imidazol-1-ylmethyl)hexyl]pyrazole?
The IUPAC name of 1-[2-(imidazol-1-ylmethyl)hexyl]pyrazole (CID 57057005) is 1-[2-(imidazol-1-ylmethyl)hexyl]pyrazole.
What is the SMILES notation for 1-[2-(imidazol-1-ylmethyl)hexyl]pyrazole?
The canonical SMILES for 1-[2-(imidazol-1-ylmethyl)hexyl]pyrazole is CCCCC(Cn1ccnc1)Cn1cccn1.
What is the InChIKey of 1-[2-(imidazol-1-ylmethyl)hexyl]pyrazole?
The InChIKey is GPFJUXLWAKEVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-2-3-5-13(10-16-9-7-14-12-16)11-17-8-4-6-15-17/h4,6-9,12-13H,2-3,5,10-11H2,1H3.
What are the key properties of 1-[2-(imidazol-1-ylmethyl)hexyl]pyrazole?
1-[2-(imidazol-1-ylmethyl)hexyl]pyrazole has a molecular weight of 232.33 g/mol, XLogP of 2.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(imidazol-1-ylmethyl)hexyl]pyrazole is sourced from PubChem (CID 57057005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).