(2R)-1-[[5-(4-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-propylamino]hexan-2-ol

C27H37N3O3 — CID 93222991

IUPAC(2R)-1-[[5-(4-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-propylamino]hexan-2-ol
SMILESCCCC[C@@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1
InChIInChI=1S/C27H37N3O3/c1-5-7-13-22(31)19-30(18-6-2)20-25-26(21-11-9-8-10-12-21)28-29(3)27(25)33-24-16-14-23(32-4)15-17-24/h8-12,14-17,22,31H,5-7,13,18-20H2,1-4H3/t22-/m1/s1
InChIKeyZLFGSBPHIXHLTH-JOCHJYFZSA-N
MW451.61 g/mol
LogP5.65
Rot. Bonds13

About (2R)-1-[[5-(4-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-propylamino]hexan-2-ol

(2R)-1-[[5-(4-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-propylamino]hexan-2-ol (PubChem CID 93222991) has the molecular formula C27H37N3O3 and a molecular weight of 451.61 g/mol. Its IUPAC name is (2R)-1-[[5-(4-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-propylamino]hexan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[5-(4-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-propylamino]hexan-2-ol
PubChem CID93222991
Molecular FormulaC27H37N3O3
Molecular Weight451.61 g/mol
Exact Mass451.28
IUPAC Name(2R)-1-[[5-(4-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-propylamino]hexan-2-ol
SMILESCCCC[C@@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1
InChIInChI=1S/C27H37N3O3/c1-5-7-13-22(31)19-30(18-6-2)20-25-26(21-11-9-8-10-12-21)28-29(3)27(25)33-24-16-14-23(32-4)15-17-24/h8-12,14-17,22,31H,5-7,13,18-20H2,1-4H3/t22-/m1/s1
InChIKeyZLFGSBPHIXHLTH-JOCHJYFZSA-N
XLogP5.65
TPSA59.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.61
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[[5-(4-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-propylamino]hexan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-propylamino]pentan-2-ol
CID 46026539
1-[benzyl-[[1-methyl-5-(4-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]amino]hexan-2-ol
CID 46032111
1-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-propylamino]butan-2-ol
CID 46026543
1-[[5-(3-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-propylamino]hex-5-en-2-ol
CID 46026155
1-[[5-(4-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methylpropyl)amino]butan-2-ol
CID 46026234
(2R)-1-[[5-(4-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methylpropyl)amino]hex-5-en-2-ol
CID 93219118
1-[[5-(4-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methylpropyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 46026233
1-[2-methoxyethyl-[[5-(4-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-3-prop-2-enoxypropan-2-ol
CID 46026250
(2R)-1-[2-methoxyethyl-[[5-(2-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]pentan-2-ol
CID 93218964
1-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-propan-2-ylamino]hexan-2-ol
CID 46028400
(2R)-1-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-propan-2-ylamino]hexan-2-ol
CID 93223015
(2S)-1-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-propylamino]-3-phenylmethoxypropan-2-ol
CID 93219785

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[5-(4-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-propylamino]hexan-2-ol?
The IUPAC name of (2R)-1-[[5-(4-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-propylamino]hexan-2-ol (CID 93222991) is (2R)-1-[[5-(4-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-propylamino]hexan-2-ol.
What is the SMILES notation for (2R)-1-[[5-(4-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-propylamino]hexan-2-ol?
The canonical SMILES for (2R)-1-[[5-(4-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-propylamino]hexan-2-ol is CCCC[C@@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1.
What is the InChIKey of (2R)-1-[[5-(4-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-propylamino]hexan-2-ol?
The InChIKey is ZLFGSBPHIXHLTH-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H37N3O3/c1-5-7-13-22(31)19-30(18-6-2)20-25-26(21-11-9-8-10-12-21)28-29(3)27(25)33-24-16-14-23(32-4)15-17-24/h8-12,14-17,22,31H,5-7,13,18-20H2,1-4H3/t22-/m1/s1.
What are the key properties of (2R)-1-[[5-(4-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-propylamino]hexan-2-ol?
(2R)-1-[[5-(4-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-propylamino]hexan-2-ol has a molecular weight of 451.61 g/mol, XLogP of 5.65, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[5-(4-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-propylamino]hexan-2-ol is sourced from PubChem (CID 93222991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).