[4-[[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]methyl]cyclohexyl]methanol

C20H24N4O — CID 154816686

IUPAC[4-[[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]methyl]cyclohexyl]methanol
SMILESOCC1CCC(Cn2ccnc2-c2cccc(-n3cccn3)c2)CC1
InChIInChI=1S/C20H24N4O/c25-15-17-7-5-16(6-8-17)14-23-12-10-21-20(23)18-3-1-4-19(13-18)24-11-2-9-22-24/h1-4,9-13,16-17,25H,5-8,14-15H2
InChIKeyLJPVZJAGJICJCJ-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.53
Rot. Bonds5

About [4-[[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]methyl]cyclohexyl]methanol

[4-[[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]methyl]cyclohexyl]methanol (PubChem CID 154816686) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is [4-[[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]methyl]cyclohexyl]methanol
PubChem CID154816686
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name[4-[[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]methyl]cyclohexyl]methanol
SMILESOCC1CCC(Cn2ccnc2-c2cccc(-n3cccn3)c2)CC1
InChIInChI=1S/C20H24N4O/c25-15-17-7-5-16(6-8-17)14-23-12-10-21-20(23)18-3-1-4-19(13-18)24-11-2-9-22-24/h1-4,9-13,16-17,25H,5-8,14-15H2
InChIKeyLJPVZJAGJICJCJ-UHFFFAOYSA-N
XLogP3.53
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[2-[3-(2,2,2-trifluoroethyl)phenyl]imidazol-1-yl]methyl]cyclohexyl]methanol
CID 155911999
1-[3-[3,5-bis(3-pyrazol-1-ylphenyl)phenyl]phenyl]pyrazole
CID 138572768
1-methyl-3-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]pyrrolidin-2-one
CID 146040356
[4-[[2-(4-methylpyrazolo[1,5-a]pyridin-3-yl)imidazol-1-yl]methyl]cyclohexyl]methanol
CID 155918940
2-(cyclopropylmethylamino)-N-(3-pyrazol-1-ylphenyl)acetamide
CID 60868167
1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 90492944
2-(cyclopropylmethylamino)-N-(3-pyrazol-1-ylphenyl)acetamide;hydrochloride
CID 119708752
4-[1-(cyclobutylmethyl)imidazol-2-yl]aniline
CID 65458282
1-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)imidazole
CID 165421175
5-[[2-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one
CID 166619249
[1-[2-(3-pyrazol-1-ylphenyl)pyrimidin-4-yl]piperidin-4-yl]methylcarbamic acid
CID 89464458
4-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridine
CID 155912859

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]methyl]cyclohexyl]methanol?
The IUPAC name of [4-[[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]methyl]cyclohexyl]methanol (CID 154816686) is [4-[[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]methyl]cyclohexyl]methanol.
What is the SMILES notation for [4-[[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]methyl]cyclohexyl]methanol?
The canonical SMILES for [4-[[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]methyl]cyclohexyl]methanol is OCC1CCC(Cn2ccnc2-c2cccc(-n3cccn3)c2)CC1.
What is the InChIKey of [4-[[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]methyl]cyclohexyl]methanol?
The InChIKey is LJPVZJAGJICJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c25-15-17-7-5-16(6-8-17)14-23-12-10-21-20(23)18-3-1-4-19(13-18)24-11-2-9-22-24/h1-4,9-13,16-17,25H,5-8,14-15H2.
What are the key properties of [4-[[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]methyl]cyclohexyl]methanol?
[4-[[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]methyl]cyclohexyl]methanol has a molecular weight of 336.44 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]methyl]cyclohexyl]methanol is sourced from PubChem (CID 154816686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).