[(2R,4S)-4-[2-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]imidazol-1-yl]pyrrolidin-2-yl]methanol

C19H22FN5O — CID 146039524

IUPAC[(2R,4S)-4-[2-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]imidazol-1-yl]pyrrolidin-2-yl]methanol
SMILESCc1cc(C)n(-c2ccc(F)cc2-c2nccn2[C@@H]2CN[C@@H](CO)C2)n1
InChIInChI=1S/C19H22FN5O/c1-12-7-13(2)25(23-12)18-4-3-14(20)8-17(18)19-21-5-6-24(19)16-9-15(11-26)22-10-16/h3-8,15-16,22,26H,9-11H2,1-2H3/t15-,16+/m1/s1
InChIKeyARIHDQVIEQYABX-CVEARBPZSA-N
MW355.42 g/mol
LogP2.39
Rot. Bonds4

About [(2R,4S)-4-[2-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]imidazol-1-yl]pyrrolidin-2-yl]methanol

[(2R,4S)-4-[2-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]imidazol-1-yl]pyrrolidin-2-yl]methanol (PubChem CID 146039524) has the molecular formula C19H22FN5O and a molecular weight of 355.42 g/mol. Its IUPAC name is [(2R,4S)-4-[2-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]imidazol-1-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R,4S)-4-[2-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]imidazol-1-yl]pyrrolidin-2-yl]methanol
PubChem CID146039524
Molecular FormulaC19H22FN5O
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC Name[(2R,4S)-4-[2-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]imidazol-1-yl]pyrrolidin-2-yl]methanol
SMILESCc1cc(C)n(-c2ccc(F)cc2-c2nccn2[C@@H]2CN[C@@H](CO)C2)n1
InChIInChI=1S/C19H22FN5O/c1-12-7-13(2)25(23-12)18-4-3-14(20)8-17(18)19-21-5-6-24(19)16-9-15(11-26)22-10-16/h3-8,15-16,22,26H,9-11H2,1-2H3/t15-,16+/m1/s1
InChIKeyARIHDQVIEQYABX-CVEARBPZSA-N
XLogP2.39
TPSA67.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]imidazol-1-yl]thiane 1,1-dioxide
CID 154817593
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CID 154821234
2-[[2-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]imidazol-1-yl]methyl]-4-methylmorpholine
CID 146040864
[(2R,4S)-4-[2-(4-methyl-1,3-thiazol-5-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol
CID 155493928
[(2R,4S)-4-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol
CID 155500671
(2R,4R)-4-[2-(2,4-difluorophenyl)imidazol-1-yl]-2-ethylpiperidine
CID 146046104
[(1S,3R)-3-[2-(4-fluoro-2-methylphenyl)imidazol-1-yl]cyclohexyl]methanol
CID 155505550
1-[2,4-difluoro-5-(1-methylimidazol-2-yl)phenyl]-3,5-dimethylpyrazole
CID 58130226
(3aS,5S,6R,7aR)-2-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-5,6-diol
CID 77086900
4-[2-(5-fluoro-2-pyrazol-1-ylphenyl)imidazol-1-yl]-1-propylpyrrolidin-2-one
CID 146042252
(1S)-1-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]ethanol
CID 55184508
N-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 63072475

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-4-[2-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]imidazol-1-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R,4S)-4-[2-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]imidazol-1-yl]pyrrolidin-2-yl]methanol (CID 146039524) is [(2R,4S)-4-[2-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]imidazol-1-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R,4S)-4-[2-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]imidazol-1-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R,4S)-4-[2-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]imidazol-1-yl]pyrrolidin-2-yl]methanol is Cc1cc(C)n(-c2ccc(F)cc2-c2nccn2[C@@H]2CN[C@@H](CO)C2)n1.
What is the InChIKey of [(2R,4S)-4-[2-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]imidazol-1-yl]pyrrolidin-2-yl]methanol?
The InChIKey is ARIHDQVIEQYABX-CVEARBPZSA-N. The full InChI is InChI=1S/C19H22FN5O/c1-12-7-13(2)25(23-12)18-4-3-14(20)8-17(18)19-21-5-6-24(19)16-9-15(11-26)22-10-16/h3-8,15-16,22,26H,9-11H2,1-2H3/t15-,16+/m1/s1.
What are the key properties of [(2R,4S)-4-[2-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]imidazol-1-yl]pyrrolidin-2-yl]methanol?
[(2R,4S)-4-[2-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]imidazol-1-yl]pyrrolidin-2-yl]methanol has a molecular weight of 355.42 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-4-[2-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]imidazol-1-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 146039524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).