2-[4-[[3-(3-methoxyphenoxy)azetidin-1-yl]methyl]-3,5-dimethylpyrazol-1-yl]ethanol

C18H25N3O3 — CID 56903537

IUPAC2-[4-[[3-(3-methoxyphenoxy)azetidin-1-yl]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
SMILESCOc1cccc(OC2CN(Cc3c(C)nn(CCO)c3C)C2)c1
InChIInChI=1S/C18H25N3O3/c1-13-18(14(2)21(19-13)7-8-22)12-20-10-17(11-20)24-16-6-4-5-15(9-16)23-3/h4-6,9,17,22H,7-8,10-12H2,1-3H3
InChIKeyKRTRPPBCHMNOOM-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.76
Rot. Bonds7

About 2-[4-[[3-(3-methoxyphenoxy)azetidin-1-yl]methyl]-3,5-dimethylpyrazol-1-yl]ethanol

2-[4-[[3-(3-methoxyphenoxy)azetidin-1-yl]methyl]-3,5-dimethylpyrazol-1-yl]ethanol (PubChem CID 56903537) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[4-[[3-(3-methoxyphenoxy)azetidin-1-yl]methyl]-3,5-dimethylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[3-(3-methoxyphenoxy)azetidin-1-yl]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
PubChem CID56903537
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name2-[4-[[3-(3-methoxyphenoxy)azetidin-1-yl]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
SMILESCOc1cccc(OC2CN(Cc3c(C)nn(CCO)c3C)C2)c1
InChIInChI=1S/C18H25N3O3/c1-13-18(14(2)21(19-13)7-8-22)12-20-10-17(11-20)24-16-6-4-5-15(9-16)23-3/h4-6,9,17,22H,7-8,10-12H2,1-3H3
InChIKeyKRTRPPBCHMNOOM-UHFFFAOYSA-N
XLogP1.76
TPSA59.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(3-methoxyphenoxy)azetidin-1-yl]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[3-(3-methoxyphenoxy)azetidin-1-yl]methyl]-3,5-dimethylpyrazol-1-yl]ethanol (CID 56903537) is 2-[4-[[3-(3-methoxyphenoxy)azetidin-1-yl]methyl]-3,5-dimethylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[3-(3-methoxyphenoxy)azetidin-1-yl]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[3-(3-methoxyphenoxy)azetidin-1-yl]methyl]-3,5-dimethylpyrazol-1-yl]ethanol is COc1cccc(OC2CN(Cc3c(C)nn(CCO)c3C)C2)c1.
What is the InChIKey of 2-[4-[[3-(3-methoxyphenoxy)azetidin-1-yl]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The InChIKey is KRTRPPBCHMNOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-13-18(14(2)21(19-13)7-8-22)12-20-10-17(11-20)24-16-6-4-5-15(9-16)23-3/h4-6,9,17,22H,7-8,10-12H2,1-3H3.
What are the key properties of 2-[4-[[3-(3-methoxyphenoxy)azetidin-1-yl]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
2-[4-[[3-(3-methoxyphenoxy)azetidin-1-yl]methyl]-3,5-dimethylpyrazol-1-yl]ethanol has a molecular weight of 331.42 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(3-methoxyphenoxy)azetidin-1-yl]methyl]-3,5-dimethylpyrazol-1-yl]ethanol is sourced from PubChem (CID 56903537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).