1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenoxy]propan-2-ol

C23H34N4O4 — CID 175642538

IUPAC1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenoxy]propan-2-ol
SMILESCOc1cc(CN2CCOCC2)ccc1OCC(O)CN1CC(n2nc(C)cc2C)C1
InChIInChI=1S/C23H34N4O4/c1-17-10-18(2)27(24-17)20-13-26(14-20)15-21(28)16-31-22-5-4-19(11-23(22)29-3)12-25-6-8-30-9-7-25/h4-5,10-11,20-21,28H,6-9,12-16H2,1-3H3
InChIKeyJOSKGXVBDPBUIS-UHFFFAOYSA-N
MW430.55 g/mol
LogP1.64
Rot. Bonds9

About 1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenoxy]propan-2-ol

1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenoxy]propan-2-ol (PubChem CID 175642538) has the molecular formula C23H34N4O4 and a molecular weight of 430.55 g/mol. Its IUPAC name is 1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenoxy]propan-2-ol
PubChem CID175642538
Molecular FormulaC23H34N4O4
Molecular Weight430.55 g/mol
Exact Mass430.26
IUPAC Name1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenoxy]propan-2-ol
SMILESCOc1cc(CN2CCOCC2)ccc1OCC(O)CN1CC(n2nc(C)cc2C)C1
InChIInChI=1S/C23H34N4O4/c1-17-10-18(2)27(24-17)20-13-26(14-20)15-21(28)16-31-22-5-4-19(11-23(22)29-3)12-25-6-8-30-9-7-25/h4-5,10-11,20-21,28H,6-9,12-16H2,1-3H3
InChIKeyJOSKGXVBDPBUIS-UHFFFAOYSA-N
XLogP1.64
TPSA72.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2R)-1-[2-methoxy-4-(1,4-oxazepan-4-ylmethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 97269962
1-[2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 72853462
1-[(2S)-2-hydroxy-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenoxy]propyl]piperidin-4-ol
CID 97277352
(2S)-1-[2-methoxy-4-(morpholin-4-ylmethyl)phenoxy]-3-thiomorpholin-4-ylpropan-2-ol
CID 97280044
1-(diethylamino)-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenoxy]propan-2-ol
CID 45242296
(2S)-1-[2-methoxy-4-(1,4-oxazepan-4-ylmethyl)phenoxy]-3-thiomorpholin-4-ylpropan-2-ol
CID 97284756
1-[4-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]phenoxy]-3-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]propan-2-ol
CID 176506990
1-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-3-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]propan-2-ol
CID 175642732
1-[2-methoxy-4-(1,2-oxazolidin-2-ylmethyl)phenoxy]-3-(1,4-oxazepan-4-yl)propan-2-ol
CID 176504622
1-[4-(ethylaminomethyl)-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
CID 45240559
1-[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
CID 72939166
1-[3-[4-[(4-fluoropiperidin-1-yl)methyl]-2-methoxyphenoxy]-2-hydroxypropyl]piperidin-4-ol
CID 72869940

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenoxy]propan-2-ol?
The IUPAC name of 1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenoxy]propan-2-ol (CID 175642538) is 1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenoxy]propan-2-ol is COc1cc(CN2CCOCC2)ccc1OCC(O)CN1CC(n2nc(C)cc2C)C1.
What is the InChIKey of 1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenoxy]propan-2-ol?
The InChIKey is JOSKGXVBDPBUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O4/c1-17-10-18(2)27(24-17)20-13-26(14-20)15-21(28)16-31-22-5-4-19(11-23(22)29-3)12-25-6-8-30-9-7-25/h4-5,10-11,20-21,28H,6-9,12-16H2,1-3H3.
What are the key properties of 1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenoxy]propan-2-ol?
1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenoxy]propan-2-ol has a molecular weight of 430.55 g/mol, XLogP of 1.64, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 175642538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).