1-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methylpropyl)amino]-3-phenylpropan-2-ol

C30H34FN3O2 — CID 46026358

IUPAC1-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methylpropyl)amino]-3-phenylpropan-2-ol
SMILESCC(C)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC(O)Cc1ccccc1
InChIInChI=1S/C30H34FN3O2/c1-22(2)19-34(20-25(35)18-23-12-6-4-7-13-23)21-26-29(24-14-8-5-9-15-24)32-33(3)30(26)36-28-17-11-10-16-27(28)31/h4-17,22,25,35H,18-21H2,1-3H3
InChIKeyUOSYJSWEXGGFEL-UHFFFAOYSA-N
MW487.62 g/mol
LogP6.08
Rot. Bonds11

About 1-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methylpropyl)amino]-3-phenylpropan-2-ol

1-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methylpropyl)amino]-3-phenylpropan-2-ol (PubChem CID 46026358) has the molecular formula C30H34FN3O2 and a molecular weight of 487.62 g/mol. Its IUPAC name is 1-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methylpropyl)amino]-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methylpropyl)amino]-3-phenylpropan-2-ol
PubChem CID46026358
Molecular FormulaC30H34FN3O2
Molecular Weight487.62 g/mol
Exact Mass487.26
IUPAC Name1-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methylpropyl)amino]-3-phenylpropan-2-ol
SMILESCC(C)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC(O)Cc1ccccc1
InChIInChI=1S/C30H34FN3O2/c1-22(2)19-34(20-25(35)18-23-12-6-4-7-13-23)21-26-29(24-14-8-5-9-15-24)32-33(3)30(26)36-28-17-11-10-16-27(28)31/h4-17,22,25,35H,18-21H2,1-3H3
InChIKeyUOSYJSWEXGGFEL-UHFFFAOYSA-N
XLogP6.08
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.62
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methylpropyl)amino]-3-phenylpropan-2-ol?
The IUPAC name of 1-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methylpropyl)amino]-3-phenylpropan-2-ol (CID 46026358) is 1-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methylpropyl)amino]-3-phenylpropan-2-ol.
What is the SMILES notation for 1-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methylpropyl)amino]-3-phenylpropan-2-ol?
The canonical SMILES for 1-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methylpropyl)amino]-3-phenylpropan-2-ol is CC(C)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC(O)Cc1ccccc1.
What is the InChIKey of 1-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methylpropyl)amino]-3-phenylpropan-2-ol?
The InChIKey is UOSYJSWEXGGFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FN3O2/c1-22(2)19-34(20-25(35)18-23-12-6-4-7-13-23)21-26-29(24-14-8-5-9-15-24)32-33(3)30(26)36-28-17-11-10-16-27(28)31/h4-17,22,25,35H,18-21H2,1-3H3.
What are the key properties of 1-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methylpropyl)amino]-3-phenylpropan-2-ol?
1-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methylpropyl)amino]-3-phenylpropan-2-ol has a molecular weight of 487.62 g/mol, XLogP of 6.08, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methylpropyl)amino]-3-phenylpropan-2-ol is sourced from PubChem (CID 46026358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).