(2R)-1-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methoxyethyl)amino]propan-2-ol

C23H28FN3O3 — CID 93219452

IUPAC(2R)-1-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methoxyethyl)amino]propan-2-ol
SMILESCOCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@@H](C)O
InChIInChI=1S/C23H28FN3O3/c1-17(28)15-27(13-14-29-3)16-19-22(18-9-5-4-6-10-18)25-26(2)23(19)30-21-12-8-7-11-20(21)24/h4-12,17,28H,13-16H2,1-3H3/t17-/m1/s1
InChIKeyANHJMLQGYMZRFP-QGZVFWFLSA-N
MW413.49 g/mol
LogP3.85
Rot. Bonds10

About (2R)-1-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methoxyethyl)amino]propan-2-ol

(2R)-1-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methoxyethyl)amino]propan-2-ol (PubChem CID 93219452) has the molecular formula C23H28FN3O3 and a molecular weight of 413.49 g/mol. Its IUPAC name is (2R)-1-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methoxyethyl)amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methoxyethyl)amino]propan-2-ol
PubChem CID93219452
Molecular FormulaC23H28FN3O3
Molecular Weight413.49 g/mol
Exact Mass413.21
IUPAC Name(2R)-1-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methoxyethyl)amino]propan-2-ol
SMILESCOCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@@H](C)O
InChIInChI=1S/C23H28FN3O3/c1-17(28)15-27(13-14-29-3)16-19-22(18-9-5-4-6-10-18)25-26(2)23(19)30-21-12-8-7-11-20(21)24/h4-12,17,28H,13-16H2,1-3H3/t17-/m1/s1
InChIKeyANHJMLQGYMZRFP-QGZVFWFLSA-N
XLogP3.85
TPSA59.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methoxyethyl)amino]propan-2-ol with MolForge

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Related Compounds

1-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methoxyethyl)amino]-3-methylbutan-2-ol
CID 42843240
2-[2-methoxyethyl-[[5-(2-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-1-phenylethanol
CID 42843207
(2R)-1-[2-methoxyethyl-[[5-(2-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]pentan-2-ol
CID 93218964
(2R)-1-[[5-(2-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol
CID 93218507
(2R)-1-[[5-(4-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methoxyethyl)amino]butan-2-ol
CID 93218572
(2S)-1-ethoxy-3-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methylpropyl)amino]propan-2-ol
CID 93219444
(2S)-1-butoxy-3-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methylpropyl)amino]propan-2-ol
CID 93222857
1-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methylpropyl)amino]hex-5-en-2-ol
CID 46026361
(2S)-1-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methylpropyl)amino]-3-phenylmethoxypropan-2-ol
CID 93219419
(2R)-1-[cyclopropylmethyl-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 93219503
N-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
CID 51069148
(2S)-1-methoxy-3-[2-methoxyethyl-[[5-(3-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]propan-2-ol
CID 93218719

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methoxyethyl)amino]propan-2-ol?
The IUPAC name of (2R)-1-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methoxyethyl)amino]propan-2-ol (CID 93219452) is (2R)-1-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methoxyethyl)amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methoxyethyl)amino]propan-2-ol?
The canonical SMILES for (2R)-1-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methoxyethyl)amino]propan-2-ol is COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@@H](C)O.
What is the InChIKey of (2R)-1-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methoxyethyl)amino]propan-2-ol?
The InChIKey is ANHJMLQGYMZRFP-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H28FN3O3/c1-17(28)15-27(13-14-29-3)16-19-22(18-9-5-4-6-10-18)25-26(2)23(19)30-21-12-8-7-11-20(21)24/h4-12,17,28H,13-16H2,1-3H3/t17-/m1/s1.
What are the key properties of (2R)-1-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methoxyethyl)amino]propan-2-ol?
(2R)-1-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methoxyethyl)amino]propan-2-ol has a molecular weight of 413.49 g/mol, XLogP of 3.85, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methoxyethyl)amino]propan-2-ol is sourced from PubChem (CID 93219452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).