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

C16H15F3N4O — CID 141365166

IUPAC(2R)-1,1,1-trifluoro-3-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]propan-2-ol
SMILESCc1ccc(-c2cc(C[C@@H](O)C(F)(F)F)[nH]n2)cc1-n1ccnc1
InChIInChI=1S/C16H15F3N4O/c1-10-2-3-11(6-14(10)23-5-4-20-9-23)13-7-12(21-22-13)8-15(24)16(17,18)19/h2-7,9,15,24H,8H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyOBPGNARZSVMAMJ-OAHLLOKOSA-N
MW336.32 g/mol
LogP3.04
Rot. Bonds4

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

(2R)-1,1,1-trifluoro-3-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]propan-2-ol (PubChem CID 141365166) has the molecular formula C16H15F3N4O and a molecular weight of 336.32 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-3-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoro-3-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]propan-2-ol
PubChem CID141365166
Molecular FormulaC16H15F3N4O
Molecular Weight336.32 g/mol
Exact Mass336.12
IUPAC Name(2R)-1,1,1-trifluoro-3-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]propan-2-ol
SMILESCc1ccc(-c2cc(C[C@@H](O)C(F)(F)F)[nH]n2)cc1-n1ccnc1
InChIInChI=1S/C16H15F3N4O/c1-10-2-3-11(6-14(10)23-5-4-20-9-23)13-7-12(21-22-13)8-15(24)16(17,18)19/h2-7,9,15,24H,8H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyOBPGNARZSVMAMJ-OAHLLOKOSA-N
XLogP3.04
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluoro-3-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]propan-2-ol?
The IUPAC name of (2R)-1,1,1-trifluoro-3-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]propan-2-ol (CID 141365166) is (2R)-1,1,1-trifluoro-3-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]propan-2-ol.
What is the SMILES notation for (2R)-1,1,1-trifluoro-3-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]propan-2-ol?
The canonical SMILES for (2R)-1,1,1-trifluoro-3-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]propan-2-ol is Cc1ccc(-c2cc(C[C@@H](O)C(F)(F)F)[nH]n2)cc1-n1ccnc1.
What is the InChIKey of (2R)-1,1,1-trifluoro-3-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]propan-2-ol?
The InChIKey is OBPGNARZSVMAMJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H15F3N4O/c1-10-2-3-11(6-14(10)23-5-4-20-9-23)13-7-12(21-22-13)8-15(24)16(17,18)19/h2-7,9,15,24H,8H2,1H3,(H,21,22)/t15-/m1/s1.
What are the key properties of (2R)-1,1,1-trifluoro-3-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]propan-2-ol?
(2R)-1,1,1-trifluoro-3-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]propan-2-ol has a molecular weight of 336.32 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trifluoro-3-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]propan-2-ol is sourced from PubChem (CID 141365166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).