3-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-1,1,1-trifluoro-2-[4-(1H-pyrazol-5-yl)phenyl]propan-2-ol

C20H23F3N4O — CID 68667697

IUPAC3-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-1,1,1-trifluoro-2-[4-(1H-pyrazol-5-yl)phenyl]propan-2-ol
SMILESCC(C)(C)Cc1cnc(CC(O)(c2ccc(-c3ccn[nH]3)cc2)C(F)(F)F)[nH]1
InChIInChI=1S/C20H23F3N4O/c1-18(2,3)10-15-12-24-17(26-15)11-19(28,20(21,22)23)14-6-4-13(5-7-14)16-8-9-25-27-16/h4-9,12,28H,10-11H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyXJAMMCXRDCMOLR-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.38
Rot. Bonds5

About 3-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-1,1,1-trifluoro-2-[4-(1H-pyrazol-5-yl)phenyl]propan-2-ol

3-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-1,1,1-trifluoro-2-[4-(1H-pyrazol-5-yl)phenyl]propan-2-ol (PubChem CID 68667697) has the molecular formula C20H23F3N4O and a molecular weight of 392.43 g/mol. Its IUPAC name is 3-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-1,1,1-trifluoro-2-[4-(1H-pyrazol-5-yl)phenyl]propan-2-ol.

Molecular Properties

Compound Name3-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-1,1,1-trifluoro-2-[4-(1H-pyrazol-5-yl)phenyl]propan-2-ol
PubChem CID68667697
Molecular FormulaC20H23F3N4O
Molecular Weight392.43 g/mol
Exact Mass392.18
IUPAC Name3-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-1,1,1-trifluoro-2-[4-(1H-pyrazol-5-yl)phenyl]propan-2-ol
SMILESCC(C)(C)Cc1cnc(CC(O)(c2ccc(-c3ccn[nH]3)cc2)C(F)(F)F)[nH]1
InChIInChI=1S/C20H23F3N4O/c1-18(2,3)10-15-12-24-17(26-15)11-19(28,20(21,22)23)14-6-4-13(5-7-14)16-8-9-25-27-16/h4-9,12,28H,10-11H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyXJAMMCXRDCMOLR-UHFFFAOYSA-N
XLogP4.38
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

MK-5046
CID 49871766
2-[4-(1H-pyrazol-1-yl)phenyl]-1-(4-{[1-(trifluoromethyl)cyclopropyl]methyl}-1H-imidazol-2-yl)propan-2-ol
CID 25026044
1-[4-(2,2-Dimethylpropyl)-1h-imidazol-2-yl]-2-[4-(5-fluoropyridin-2-yl)phenyl]propan-2-ol
CID 25026445
1-[4-(2,2-Dimethylpropyl)-1h-imidazol-2-yl]-2-[4-(1h-pyrazol-1-yl)phenyl]propan-2-ol
CID 25026446
2-[4-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]phenyl]propan-2-ol
CID 127028197
1-[4-[8-amino-3-(1H-pyrazol-5-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-phenylethanol
CID 57960822
US11098041, Example 32
CID 121249889
US10550089, Example 22
CID 132116731
(2R,3R)-3-[2-(4-tert-butylphenyl)-1,5,6,8-tetrahydroimidazo[1,2-a]pyrazin-7-yl]-2-(2,4-difluorophenyl)-1-(1$l^{5},2,4-triazacyclopenta-2,5-dien-1-yl)butan-2-ol
CID 86580108
(2R,3R)-2-(2,4-difluorophenyl)-1-(1$l^{5},2,4-triazacyclopenta-2,5-dien-1-yl)-3-[2-[4-(trifluoromethyl)phenyl]-1,5,6,8-tetrahydroimidazo[1,2-a]pyrazin-7-yl]butan-2-ol
CID 86580129
(2R,3R)-2-(2,4-difluorophenyl)-1-(1$l^{5},2,4-triazacyclopenta-2,5-dien-1-yl)-3-[2-(p-tolyl)-1,5,6,8-tetrahydroimidazo[1,2-a]pyrazin-7-yl]butan-2-ol
CID 86580151
CID 25026247
CID 25026247

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-1,1,1-trifluoro-2-[4-(1H-pyrazol-5-yl)phenyl]propan-2-ol?
The IUPAC name of 3-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-1,1,1-trifluoro-2-[4-(1H-pyrazol-5-yl)phenyl]propan-2-ol (CID 68667697) is 3-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-1,1,1-trifluoro-2-[4-(1H-pyrazol-5-yl)phenyl]propan-2-ol.
What is the SMILES notation for 3-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-1,1,1-trifluoro-2-[4-(1H-pyrazol-5-yl)phenyl]propan-2-ol?
The canonical SMILES for 3-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-1,1,1-trifluoro-2-[4-(1H-pyrazol-5-yl)phenyl]propan-2-ol is CC(C)(C)Cc1cnc(CC(O)(c2ccc(-c3ccn[nH]3)cc2)C(F)(F)F)[nH]1.
What is the InChIKey of 3-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-1,1,1-trifluoro-2-[4-(1H-pyrazol-5-yl)phenyl]propan-2-ol?
The InChIKey is XJAMMCXRDCMOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O/c1-18(2,3)10-15-12-24-17(26-15)11-19(28,20(21,22)23)14-6-4-13(5-7-14)16-8-9-25-27-16/h4-9,12,28H,10-11H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of 3-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-1,1,1-trifluoro-2-[4-(1H-pyrazol-5-yl)phenyl]propan-2-ol?
3-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-1,1,1-trifluoro-2-[4-(1H-pyrazol-5-yl)phenyl]propan-2-ol has a molecular weight of 392.43 g/mol, XLogP of 4.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-1,1,1-trifluoro-2-[4-(1H-pyrazol-5-yl)phenyl]propan-2-ol is sourced from PubChem (CID 68667697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).