(2R)-1-cyclohexyloxy-3-[[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl-methylamino]propan-2-ol

C24H37N3O3 — CID 129455200

IUPAC(2R)-1-cyclohexyloxy-3-[[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl-methylamino]propan-2-ol
SMILESCc1cc(C)n(CCOc2ccc(CN(C)C[C@@H](O)COC3CCCCC3)cc2)n1
InChIInChI=1S/C24H37N3O3/c1-19-15-20(2)27(25-19)13-14-29-24-11-9-21(10-12-24)16-26(3)17-22(28)18-30-23-7-5-4-6-8-23/h9-12,15,22-23,28H,4-8,13-14,16-18H2,1-3H3/t22-/m1/s1
InChIKeyHMVPBRYZDWGTCD-JOCHJYFZSA-N
MW415.58 g/mol
LogP3.72
Rot. Bonds11

About (2R)-1-cyclohexyloxy-3-[[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl-methylamino]propan-2-ol

(2R)-1-cyclohexyloxy-3-[[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl-methylamino]propan-2-ol (PubChem CID 129455200) has the molecular formula C24H37N3O3 and a molecular weight of 415.58 g/mol. Its IUPAC name is (2R)-1-cyclohexyloxy-3-[[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-cyclohexyloxy-3-[[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl-methylamino]propan-2-ol
PubChem CID129455200
Molecular FormulaC24H37N3O3
Molecular Weight415.58 g/mol
Exact Mass415.28
IUPAC Name(2R)-1-cyclohexyloxy-3-[[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl-methylamino]propan-2-ol
SMILESCc1cc(C)n(CCOc2ccc(CN(C)C[C@@H](O)COC3CCCCC3)cc2)n1
InChIInChI=1S/C24H37N3O3/c1-19-15-20(2)27(25-19)13-14-29-24-11-9-21(10-12-24)16-26(3)17-22(28)18-30-23-7-5-4-6-8-23/h9-12,15,22-23,28H,4-8,13-14,16-18H2,1-3H3/t22-/m1/s1
InChIKeyHMVPBRYZDWGTCD-JOCHJYFZSA-N
XLogP3.72
TPSA59.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-cyclohexyloxy-3-[[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl-methylamino]propan-2-ol with MolForge

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Related Compounds

1-cyclohexyloxy-3-[[4-(3-hydroxypropoxy)phenyl]methyl-methylamino]propan-2-ol
CID 132777480
1-cyclohexyloxy-3-[methyl-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]amino]propan-2-ol
CID 155984691
1-[3-[4-[[[(2S)-3-cyclohexyloxy-2-hydroxypropyl]-methylamino]methyl]phenoxy]propyl]pyrrolidin-2-one
CID 129455458
2-[4-[[(3-cyclohexyloxy-2-hydroxypropyl)-methylamino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 155984686
1-cyclohexyloxy-3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]propan-2-ol
CID 155984690
(2R)-1-(3,5-dimethylpyrazol-1-yl)-3-[4-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1099341
1-(4-methoxyphenoxy)-3-[methyl-[[3-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]propan-2-ol
CID 132778876
1-[3-[4-[[[(2R)-3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-methylamino]methyl]phenoxy]propyl]pyrrolidin-2-one
CID 129454854
1-[2-[4-[[[(2R)-3-(2-ethoxyphenoxy)-2-hydroxypropyl]-methylamino]methyl]phenoxy]ethyl]pyrrolidin-2-one
CID 129454168
1-[(2S)-3-[4-[[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]methyl]-2-methoxyphenoxy]-2-hydroxypropyl]piperidin-4-ol
CID 42452870
1-[bis(pyridin-2-ylmethyl)amino]-3-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]propan-2-ol
CID 15831001
1-(3-cyclohexyloxypropyl)-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 86993142

Frequently Asked Questions

What is the IUPAC name of (2R)-1-cyclohexyloxy-3-[[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl-methylamino]propan-2-ol?
The IUPAC name of (2R)-1-cyclohexyloxy-3-[[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl-methylamino]propan-2-ol (CID 129455200) is (2R)-1-cyclohexyloxy-3-[[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl-methylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-cyclohexyloxy-3-[[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl-methylamino]propan-2-ol?
The canonical SMILES for (2R)-1-cyclohexyloxy-3-[[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl-methylamino]propan-2-ol is Cc1cc(C)n(CCOc2ccc(CN(C)C[C@@H](O)COC3CCCCC3)cc2)n1.
What is the InChIKey of (2R)-1-cyclohexyloxy-3-[[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl-methylamino]propan-2-ol?
The InChIKey is HMVPBRYZDWGTCD-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H37N3O3/c1-19-15-20(2)27(25-19)13-14-29-24-11-9-21(10-12-24)16-26(3)17-22(28)18-30-23-7-5-4-6-8-23/h9-12,15,22-23,28H,4-8,13-14,16-18H2,1-3H3/t22-/m1/s1.
What are the key properties of (2R)-1-cyclohexyloxy-3-[[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl-methylamino]propan-2-ol?
(2R)-1-cyclohexyloxy-3-[[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl-methylamino]propan-2-ol has a molecular weight of 415.58 g/mol, XLogP of 3.72, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-cyclohexyloxy-3-[[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl-methylamino]propan-2-ol is sourced from PubChem (CID 129455200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).