[5-(2-morpholin-4-ylethoxy)-1-(4-propan-2-ylphenyl)pyrazol-4-yl]methanol

C19H27N3O3 — CID 18693277

IUPAC[5-(2-morpholin-4-ylethoxy)-1-(4-propan-2-ylphenyl)pyrazol-4-yl]methanol
SMILESCC(C)c1ccc(-n2ncc(CO)c2OCCN2CCOCC2)cc1
InChIInChI=1S/C19H27N3O3/c1-15(2)16-3-5-18(6-4-16)22-19(17(14-23)13-20-22)25-12-9-21-7-10-24-11-8-21/h3-6,13,15,23H,7-12,14H2,1-2H3
InChIKeyZLHLCMBDJKIYMV-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.20
Rot. Bonds7

About [5-(2-morpholin-4-ylethoxy)-1-(4-propan-2-ylphenyl)pyrazol-4-yl]methanol

[5-(2-morpholin-4-ylethoxy)-1-(4-propan-2-ylphenyl)pyrazol-4-yl]methanol (PubChem CID 18693277) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is [5-(2-morpholin-4-ylethoxy)-1-(4-propan-2-ylphenyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(2-morpholin-4-ylethoxy)-1-(4-propan-2-ylphenyl)pyrazol-4-yl]methanol
PubChem CID18693277
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name[5-(2-morpholin-4-ylethoxy)-1-(4-propan-2-ylphenyl)pyrazol-4-yl]methanol
SMILESCC(C)c1ccc(-n2ncc(CO)c2OCCN2CCOCC2)cc1
InChIInChI=1S/C19H27N3O3/c1-15(2)16-3-5-18(6-4-16)22-19(17(14-23)13-20-22)25-12-9-21-7-10-24-11-8-21/h3-6,13,15,23H,7-12,14H2,1-2H3
InChIKeyZLHLCMBDJKIYMV-UHFFFAOYSA-N
XLogP2.20
TPSA59.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(2-morpholin-4-ylethoxy)-1-(4-propan-2-ylphenyl)pyrazol-4-yl]methanol?
The IUPAC name of [5-(2-morpholin-4-ylethoxy)-1-(4-propan-2-ylphenyl)pyrazol-4-yl]methanol (CID 18693277) is [5-(2-morpholin-4-ylethoxy)-1-(4-propan-2-ylphenyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [5-(2-morpholin-4-ylethoxy)-1-(4-propan-2-ylphenyl)pyrazol-4-yl]methanol?
The canonical SMILES for [5-(2-morpholin-4-ylethoxy)-1-(4-propan-2-ylphenyl)pyrazol-4-yl]methanol is CC(C)c1ccc(-n2ncc(CO)c2OCCN2CCOCC2)cc1.
What is the InChIKey of [5-(2-morpholin-4-ylethoxy)-1-(4-propan-2-ylphenyl)pyrazol-4-yl]methanol?
The InChIKey is ZLHLCMBDJKIYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-15(2)16-3-5-18(6-4-16)22-19(17(14-23)13-20-22)25-12-9-21-7-10-24-11-8-21/h3-6,13,15,23H,7-12,14H2,1-2H3.
What are the key properties of [5-(2-morpholin-4-ylethoxy)-1-(4-propan-2-ylphenyl)pyrazol-4-yl]methanol?
[5-(2-morpholin-4-ylethoxy)-1-(4-propan-2-ylphenyl)pyrazol-4-yl]methanol has a molecular weight of 345.44 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-morpholin-4-ylethoxy)-1-(4-propan-2-ylphenyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 18693277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).