2-(4-pyrazol-1-ylphenyl)-1-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol

C20H21F3N4O — CID 25026044

IUPAC2-(4-pyrazol-1-ylphenyl)-1-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol
SMILESCC(O)(Cc1ncc(CC2(C(F)(F)F)CC2)[nH]1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C20H21F3N4O/c1-18(28,14-3-5-16(6-4-14)27-10-2-9-25-27)12-17-24-13-15(26-17)11-19(7-8-19)20(21,22)23/h2-6,9-10,13,28H,7-8,11-12H2,1H3,(H,24,26)
InChIKeyCTSDNKLOMIVPNV-UHFFFAOYSA-N
MW390.41 g/mol
LogP3.93
Rot. Bonds6

About 2-(4-pyrazol-1-ylphenyl)-1-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol

2-(4-pyrazol-1-ylphenyl)-1-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol (PubChem CID 25026044) has the molecular formula C20H21F3N4O and a molecular weight of 390.41 g/mol. Its IUPAC name is 2-(4-pyrazol-1-ylphenyl)-1-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-(4-pyrazol-1-ylphenyl)-1-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol
PubChem CID25026044
Molecular FormulaC20H21F3N4O
Molecular Weight390.41 g/mol
Exact Mass390.17
IUPAC Name2-(4-pyrazol-1-ylphenyl)-1-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol
SMILESCC(O)(Cc1ncc(CC2(C(F)(F)F)CC2)[nH]1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C20H21F3N4O/c1-18(28,14-3-5-16(6-4-14)27-10-2-9-25-27)12-17-24-13-15(26-17)11-19(7-8-19)20(21,22)23/h2-6,9-10,13,28H,7-8,11-12H2,1H3,(H,24,26)
InChIKeyCTSDNKLOMIVPNV-UHFFFAOYSA-N
XLogP3.93
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrazol-1-ylphenyl)-1-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol?
The IUPAC name of 2-(4-pyrazol-1-ylphenyl)-1-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol (CID 25026044) is 2-(4-pyrazol-1-ylphenyl)-1-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol.
What is the SMILES notation for 2-(4-pyrazol-1-ylphenyl)-1-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol?
The canonical SMILES for 2-(4-pyrazol-1-ylphenyl)-1-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol is CC(O)(Cc1ncc(CC2(C(F)(F)F)CC2)[nH]1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of 2-(4-pyrazol-1-ylphenyl)-1-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol?
The InChIKey is CTSDNKLOMIVPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O/c1-18(28,14-3-5-16(6-4-14)27-10-2-9-25-27)12-17-24-13-15(26-17)11-19(7-8-19)20(21,22)23/h2-6,9-10,13,28H,7-8,11-12H2,1H3,(H,24,26).
What are the key properties of 2-(4-pyrazol-1-ylphenyl)-1-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol?
2-(4-pyrazol-1-ylphenyl)-1-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol has a molecular weight of 390.41 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrazol-1-ylphenyl)-1-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol is sourced from PubChem (CID 25026044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).