2-[2-methoxyethyl-[[5-(2-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-1-phenylethanol

C29H33N3O4 — CID 42843207

IUPAC2-[2-methoxyethyl-[[5-(2-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-1-phenylethanol
SMILESCOCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)CC(O)c1ccccc1
InChIInChI=1S/C29H33N3O4/c1-31-29(36-27-17-11-10-16-26(27)35-3)24(28(30-31)23-14-8-5-9-15-23)20-32(18-19-34-2)21-25(33)22-12-6-4-7-13-22/h4-17,25,33H,18-21H2,1-3H3
InChIKeyDROQQMLPSXFFAY-UHFFFAOYSA-N
MW487.60 g/mol
LogP5.07
Rot. Bonds12

About 2-[2-methoxyethyl-[[5-(2-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-1-phenylethanol

2-[2-methoxyethyl-[[5-(2-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-1-phenylethanol (PubChem CID 42843207) has the molecular formula C29H33N3O4 and a molecular weight of 487.60 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[[5-(2-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[2-methoxyethyl-[[5-(2-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-1-phenylethanol
PubChem CID42843207
Molecular FormulaC29H33N3O4
Molecular Weight487.60 g/mol
Exact Mass487.25
IUPAC Name2-[2-methoxyethyl-[[5-(2-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-1-phenylethanol
SMILESCOCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)CC(O)c1ccccc1
InChIInChI=1S/C29H33N3O4/c1-31-29(36-27-17-11-10-16-26(27)35-3)24(28(30-31)23-14-8-5-9-15-23)20-32(18-19-34-2)21-25(33)22-12-6-4-7-13-22/h4-17,25,33H,18-21H2,1-3H3
InChIKeyDROQQMLPSXFFAY-UHFFFAOYSA-N
XLogP5.07
TPSA68.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.60
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-1-[2-methoxyethyl-[[5-(2-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]pentan-2-ol
CID 93218964
(2R)-1-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methoxyethyl)amino]propan-2-ol
CID 93219452
(2R)-1-[[5-(2-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol
CID 93218507
1-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methoxyethyl)amino]-3-methylbutan-2-ol
CID 42843240
(2S)-1-methoxy-3-[2-methoxyethyl-[[5-(3-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]propan-2-ol
CID 93218719
1-[[5-(2-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methylpropyl)amino]pentan-2-ol
CID 46026180
(2R)-1-[[5-(4-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methoxyethyl)amino]butan-2-ol
CID 93218572
1-[2-methoxyethyl-[[5-(4-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-3-prop-2-enoxypropan-2-ol
CID 46026250
1-ethoxy-3-[2-methoxyethyl-[[5-(3-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]propan-2-ol
CID 46026121
(2S)-1-[[(2S)-butan-2-yl]-[[5-(2-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-3-phenylpropan-2-ol
CID 99732788
(2R)-1-[[(2R)-butan-2-yl]-[[5-(2-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-3-phenylpropan-2-ol
CID 93219000
(2R)-1-[[(2S)-butan-2-yl]-[[5-(2-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]hexan-2-ol
CID 93222829

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[[5-(2-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-1-phenylethanol?
The IUPAC name of 2-[2-methoxyethyl-[[5-(2-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-1-phenylethanol (CID 42843207) is 2-[2-methoxyethyl-[[5-(2-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-1-phenylethanol.
What is the SMILES notation for 2-[2-methoxyethyl-[[5-(2-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-1-phenylethanol?
The canonical SMILES for 2-[2-methoxyethyl-[[5-(2-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-1-phenylethanol is COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)CC(O)c1ccccc1.
What is the InChIKey of 2-[2-methoxyethyl-[[5-(2-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-1-phenylethanol?
The InChIKey is DROQQMLPSXFFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O4/c1-31-29(36-27-17-11-10-16-26(27)35-3)24(28(30-31)23-14-8-5-9-15-23)20-32(18-19-34-2)21-25(33)22-12-6-4-7-13-22/h4-17,25,33H,18-21H2,1-3H3.
What are the key properties of 2-[2-methoxyethyl-[[5-(2-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-1-phenylethanol?
2-[2-methoxyethyl-[[5-(2-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-1-phenylethanol has a molecular weight of 487.60 g/mol, XLogP of 5.07, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[[5-(2-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-1-phenylethanol is sourced from PubChem (CID 42843207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).