3-[[5-(2-hydroxypropyl)-4-(2-methylpyrazol-3-yl)imidazol-1-yl]methyl]phenol

C17H20N4O2 — CID 134376608

IUPAC3-[[5-(2-hydroxypropyl)-4-(2-methylpyrazol-3-yl)imidazol-1-yl]methyl]phenol
SMILESCC(O)Cc1c(-c2ccnn2C)ncn1Cc1cccc(O)c1
InChIInChI=1S/C17H20N4O2/c1-12(22)8-16-17(15-6-7-19-20(15)2)18-11-21(16)10-13-4-3-5-14(23)9-13/h3-7,9,11-12,22-23H,8,10H2,1-2H3
InChIKeyHTZWOYOWDRTGRB-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.96
Rot. Bonds5

About 3-[[5-(2-hydroxypropyl)-4-(2-methylpyrazol-3-yl)imidazol-1-yl]methyl]phenol

3-[[5-(2-hydroxypropyl)-4-(2-methylpyrazol-3-yl)imidazol-1-yl]methyl]phenol (PubChem CID 134376608) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-[[5-(2-hydroxypropyl)-4-(2-methylpyrazol-3-yl)imidazol-1-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[5-(2-hydroxypropyl)-4-(2-methylpyrazol-3-yl)imidazol-1-yl]methyl]phenol
PubChem CID134376608
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name3-[[5-(2-hydroxypropyl)-4-(2-methylpyrazol-3-yl)imidazol-1-yl]methyl]phenol
SMILESCC(O)Cc1c(-c2ccnn2C)ncn1Cc1cccc(O)c1
InChIInChI=1S/C17H20N4O2/c1-12(22)8-16-17(15-6-7-19-20(15)2)18-11-21(16)10-13-4-3-5-14(23)9-13/h3-7,9,11-12,22-23H,8,10H2,1-2H3
InChIKeyHTZWOYOWDRTGRB-UHFFFAOYSA-N
XLogP1.96
TPSA76.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[5-(2-hydroxypropyl)-4-(1-methyl-3H-pyrazol-1-ium-5-yl)imidazol-1-yl]methyl]phenol
CID 153412254
3-[(5-ethyl-4-phenylimidazol-1-yl)methyl]phenol
CID 158313902
1-[3-[[3-(2-methylprop-2-enyl)phenyl]methyl]-5-phenylimidazol-4-yl]propan-2-ol
CID 157184738
1-[3-[[3-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]phenyl]methyl]-5-phenylimidazol-4-yl]propan-2-ol
CID 157184739
3-[[5-(2-aminoprop-2-enyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-[(2-methylpyrazol-3-yl)methyl]imidazol-1-yl]methyl]phenol;3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol;3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[5-(2-hydroxypropyl)-4-(2-methylpyrazol-3-yl)imidazol-1-yl]methyl]phenol
CID 159510371
3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;2-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]acetamide;3-[4-(3,5-dimethyl-2H-pyrrol-4-yl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[4-(3,5-dimethyl-2H-pyrrol-4-yl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol;2-[3-[(3-hydroxyphenyl)methyl]-5-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]acetamide;3-[1-(3-hydroxyphenyl)-4-(2-methylpyrazol-3-yl)piperazin-2-yl]propanamide;3-[[5-(2-hydroxypropyl)-4-(2-methylpyrazol-3-yl)imidazol-1-yl]methyl]phenol
CID 158917751
3-[[5-(2-amino-3,3-difluorobutyl)-4-benzylimidazol-1-yl]methyl]phenol
CID 159562587
3-[(2-tert-butylimidazol-1-yl)methyl]phenol
CID 82560371
1-[(3-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)pyrazol-4-amine
CID 106758609
3-[(4-aminoimidazo[4,5-c]pyridin-1-yl)methyl]phenol;hydrochloride
CID 139728153
3-(2-sulfanylpropyl)phenol
CID 115013475
3-(pyrazol-1-ylmethyl)phenol
CID 24745197

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-hydroxypropyl)-4-(2-methylpyrazol-3-yl)imidazol-1-yl]methyl]phenol?
The IUPAC name of 3-[[5-(2-hydroxypropyl)-4-(2-methylpyrazol-3-yl)imidazol-1-yl]methyl]phenol (CID 134376608) is 3-[[5-(2-hydroxypropyl)-4-(2-methylpyrazol-3-yl)imidazol-1-yl]methyl]phenol.
What is the SMILES notation for 3-[[5-(2-hydroxypropyl)-4-(2-methylpyrazol-3-yl)imidazol-1-yl]methyl]phenol?
The canonical SMILES for 3-[[5-(2-hydroxypropyl)-4-(2-methylpyrazol-3-yl)imidazol-1-yl]methyl]phenol is CC(O)Cc1c(-c2ccnn2C)ncn1Cc1cccc(O)c1.
What is the InChIKey of 3-[[5-(2-hydroxypropyl)-4-(2-methylpyrazol-3-yl)imidazol-1-yl]methyl]phenol?
The InChIKey is HTZWOYOWDRTGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12(22)8-16-17(15-6-7-19-20(15)2)18-11-21(16)10-13-4-3-5-14(23)9-13/h3-7,9,11-12,22-23H,8,10H2,1-2H3.
What are the key properties of 3-[[5-(2-hydroxypropyl)-4-(2-methylpyrazol-3-yl)imidazol-1-yl]methyl]phenol?
3-[[5-(2-hydroxypropyl)-4-(2-methylpyrazol-3-yl)imidazol-1-yl]methyl]phenol has a molecular weight of 312.37 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2-hydroxypropyl)-4-(2-methylpyrazol-3-yl)imidazol-1-yl]methyl]phenol is sourced from PubChem (CID 134376608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).