4-[2-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]morpholine

C16H21N3O2 — CID 3070778

IUPAC4-[2-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]morpholine
SMILESCc1c(OCCN2CCOCC2)n[nH]c1-c1ccccc1
InChIInChI=1S/C16H21N3O2/c1-13-15(14-5-3-2-4-6-14)17-18-16(13)21-12-9-19-7-10-20-11-8-19/h2-6H,7-12H2,1H3,(H,17,18)
InChIKeyCCSRHRVWFHYDAR-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.10
Rot. Bonds5

About 4-[2-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]morpholine

4-[2-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]morpholine (PubChem CID 3070778) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[2-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]morpholine
PubChem CID3070778
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-[2-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]morpholine
SMILESCc1c(OCCN2CCOCC2)n[nH]c1-c1ccccc1
InChIInChI=1S/C16H21N3O2/c1-13-15(14-5-3-2-4-6-14)17-18-16(13)21-12-9-19-7-10-20-11-8-19/h2-6H,7-12H2,1H3,(H,17,18)
InChIKeyCCSRHRVWFHYDAR-UHFFFAOYSA-N
XLogP2.10
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[[6-(3-methylphenyl)-2-pyridinyl]oxy]ethyl]morpholine
CID 91484041
ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549
4-[2-(5-phenyl-2-propan-2-ylphenoxy)ethyl]morpholine
CID 146386321
2-[3-methyl-4-(2-morpholin-4-ylethoxy)phenyl]benzoic acid
CID 166265933
4-[2-(4,5-dimethyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine
CID 71449814
4-(4-butoxyphenyl)-5-(2-morpholin-4-ylethyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855885
1-[3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylpyrazol-5-amine
CID 161408608
4-[2-(4-methylnaphthalen-2-yl)oxyethyl]morpholine
CID 143504994
6-(3-methyl-4-phenylmethoxyphenyl)-3-[2-(1,4-oxazepan-4-yl)ethoxy]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 91555178
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
4-[4-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-pyrazol-5-yl]phenol
CID 175208942
4-[2-[[5-(4-methylphenyl)-2-pyridinyl]oxy]ethyl]morpholine
CID 126471082

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]morpholine?
The IUPAC name of 4-[2-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]morpholine (CID 3070778) is 4-[2-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]morpholine is Cc1c(OCCN2CCOCC2)n[nH]c1-c1ccccc1.
What is the InChIKey of 4-[2-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]morpholine?
The InChIKey is CCSRHRVWFHYDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-13-15(14-5-3-2-4-6-14)17-18-16(13)21-12-9-19-7-10-20-11-8-19/h2-6H,7-12H2,1H3,(H,17,18).
What are the key properties of 4-[2-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]morpholine?
4-[2-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]morpholine has a molecular weight of 287.36 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]morpholine is sourced from PubChem (CID 3070778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).