(2R)-1-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-3-pyrazol-1-ylpropan-2-ol

C16H18N4OS — CID 99773691

IUPAC(2R)-1-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-3-pyrazol-1-ylpropan-2-ol
SMILESCc1cccc(-n2ccnc2SC[C@H](O)Cn2cccn2)c1
InChIInChI=1S/C16H18N4OS/c1-13-4-2-5-14(10-13)20-9-7-17-16(20)22-12-15(21)11-19-8-3-6-18-19/h2-10,15,21H,11-12H2,1H3/t15-/m1/s1
InChIKeyTZRRIALADDWNGG-OAHLLOKOSA-N
MW314.41 g/mol
LogP2.53
Rot. Bonds6

About (2R)-1-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-3-pyrazol-1-ylpropan-2-ol

(2R)-1-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-3-pyrazol-1-ylpropan-2-ol (PubChem CID 99773691) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is (2R)-1-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-3-pyrazol-1-ylpropan-2-ol
PubChem CID99773691
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Name(2R)-1-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-3-pyrazol-1-ylpropan-2-ol
SMILESCc1cccc(-n2ccnc2SC[C@H](O)Cn2cccn2)c1
InChIInChI=1S/C16H18N4OS/c1-13-4-2-5-14(10-13)20-9-7-17-16(20)22-12-15(21)11-19-8-3-6-18-19/h2-10,15,21H,11-12H2,1H3/t15-/m1/s1
InChIKeyTZRRIALADDWNGG-OAHLLOKOSA-N
XLogP2.53
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethylsulfanyl-1-(3-methylphenyl)imidazole
CID 52557983
1-[4-[2-hydroxy-3-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropoxy]phenyl]propan-1-one
CID 24579904
1-[4-[2-hydroxy-3-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropoxy]-3-methoxyphenyl]ethanone
CID 24579905
2-(4-methylpentylsulfanyl)-1-(3-methylphenyl)imidazole
CID 129255839
1-(2-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethanone
CID 33298554
2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide
CID 40665507
N-[2-(4-ethoxyphenoxy)ethyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 40670318
N-(2,3-dimethylphenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 3253704
N,N-bis(2-cyanoethyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 46806811
1-(3-chlorophenyl)-2-(2-methylprop-2-enylsulfanyl)imidazole
CID 47134933
[4-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]urea
CID 33298924
3-methyl-5-[[1-(3-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 46540725

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of (2R)-1-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-3-pyrazol-1-ylpropan-2-ol (CID 99773691) is (2R)-1-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for (2R)-1-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-3-pyrazol-1-ylpropan-2-ol is Cc1cccc(-n2ccnc2SC[C@H](O)Cn2cccn2)c1.
What is the InChIKey of (2R)-1-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is TZRRIALADDWNGG-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H18N4OS/c1-13-4-2-5-14(10-13)20-9-7-17-16(20)22-12-15(21)11-19-8-3-6-18-19/h2-10,15,21H,11-12H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-1-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-3-pyrazol-1-ylpropan-2-ol?
(2R)-1-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 314.41 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 99773691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).