1-[2-(imidazol-1-ylmethyl)-4-methylpentyl]pyrazole

C13H20N4 — CID 57138453

IUPAC1-[2-(imidazol-1-ylmethyl)-4-methylpentyl]pyrazole
SMILESCC(C)CC(Cn1ccnc1)Cn1cccn1
InChIInChI=1S/C13H20N4/c1-12(2)8-13(9-16-7-5-14-11-16)10-17-6-3-4-15-17/h3-7,11-13H,8-10H2,1-2H3
InChIKeyPFNZRNQOSSSOSA-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.44
Rot. Bonds6

About 1-[2-(imidazol-1-ylmethyl)-4-methylpentyl]pyrazole

1-[2-(imidazol-1-ylmethyl)-4-methylpentyl]pyrazole (PubChem CID 57138453) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-[2-(imidazol-1-ylmethyl)-4-methylpentyl]pyrazole.

Molecular Properties

Compound Name1-[2-(imidazol-1-ylmethyl)-4-methylpentyl]pyrazole
PubChem CID57138453
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name1-[2-(imidazol-1-ylmethyl)-4-methylpentyl]pyrazole
SMILESCC(C)CC(Cn1ccnc1)Cn1cccn1
InChIInChI=1S/C13H20N4/c1-12(2)8-13(9-16-7-5-14-11-16)10-17-6-3-4-15-17/h3-7,11-13H,8-10H2,1-2H3
InChIKeyPFNZRNQOSSSOSA-UHFFFAOYSA-N
XLogP2.44
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(imidazol-1-ylmethyl)hexyl]pyrazole
CID 57057005
1-imidazol-1-yl-N-(2-pyrazol-1-ylethyl)propan-2-amine
CID 61491585
1-(2-methylbutyl)imidazole
CID 59161437
1-[2-(bromomethyl)butyl]imidazole
CID 64995115
1-(2,3-dimethylpentyl)imidazole
CID 91321632
1-(2-ethyl-3-methylbutyl)imidazole
CID 170019524
1-imidazol-1-ylpentan-2-amine
CID 62041882
N-(2-imidazol-1-ylethyl)-4-methylpentan-2-amine
CID 61326124
1-imidazol-1-yl-3-methylbutan-2-ol
CID 22324700
2-(pyrazol-1-ylmethyl)butan-1-ol
CID 142163209
(2R)-2-(imidazol-1-ylmethyl)hexan-1-ol
CID 134251043
1-(2-ethyltridecyl)imidazole;hydrochloride
CID 175493455

Frequently Asked Questions

What is the IUPAC name of 1-[2-(imidazol-1-ylmethyl)-4-methylpentyl]pyrazole?
The IUPAC name of 1-[2-(imidazol-1-ylmethyl)-4-methylpentyl]pyrazole (CID 57138453) is 1-[2-(imidazol-1-ylmethyl)-4-methylpentyl]pyrazole.
What is the SMILES notation for 1-[2-(imidazol-1-ylmethyl)-4-methylpentyl]pyrazole?
The canonical SMILES for 1-[2-(imidazol-1-ylmethyl)-4-methylpentyl]pyrazole is CC(C)CC(Cn1ccnc1)Cn1cccn1.
What is the InChIKey of 1-[2-(imidazol-1-ylmethyl)-4-methylpentyl]pyrazole?
The InChIKey is PFNZRNQOSSSOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-12(2)8-13(9-16-7-5-14-11-16)10-17-6-3-4-15-17/h3-7,11-13H,8-10H2,1-2H3.
What are the key properties of 1-[2-(imidazol-1-ylmethyl)-4-methylpentyl]pyrazole?
1-[2-(imidazol-1-ylmethyl)-4-methylpentyl]pyrazole has a molecular weight of 232.33 g/mol, XLogP of 2.44, 6 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)-4-methylpentyl]pyrazole is sourced from PubChem (CID 57138453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).