4-[3-(5-methoxy-2-pyrazol-1-ylphenyl)propyl]morpholine

C17H23N3O2 — CID 170869588

IUPAC4-[3-(5-methoxy-2-pyrazol-1-ylphenyl)propyl]morpholine
SMILESCOc1ccc(-n2cccn2)c(CCCN2CCOCC2)c1
InChIInChI=1S/C17H23N3O2/c1-21-16-5-6-17(20-9-3-7-18-20)15(14-16)4-2-8-19-10-12-22-13-11-19/h3,5-7,9,14H,2,4,8,10-13H2,1H3
InChIKeyGCDLGNQFWYRMEH-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.15
Rot. Bonds6

About 4-[3-(5-methoxy-2-pyrazol-1-ylphenyl)propyl]morpholine

4-[3-(5-methoxy-2-pyrazol-1-ylphenyl)propyl]morpholine (PubChem CID 170869588) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-[3-(5-methoxy-2-pyrazol-1-ylphenyl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(5-methoxy-2-pyrazol-1-ylphenyl)propyl]morpholine
PubChem CID170869588
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name4-[3-(5-methoxy-2-pyrazol-1-ylphenyl)propyl]morpholine
SMILESCOc1ccc(-n2cccn2)c(CCCN2CCOCC2)c1
InChIInChI=1S/C17H23N3O2/c1-21-16-5-6-17(20-9-3-7-18-20)15(14-16)4-2-8-19-10-12-22-13-11-19/h3,5-7,9,14H,2,4,8,10-13H2,1H3
InChIKeyGCDLGNQFWYRMEH-UHFFFAOYSA-N
XLogP2.15
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(2-pyrazol-1-ylphenyl)propyl]morpholine
CID 170869917
1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-4-(oxan-4-yl)piperazine
CID 74246666
N-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine
CID 91763516
4-[3-(3-methoxyphenyl)propyl]morpholine
CID 91901626
2-[4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]morpholin-3-yl]acetic acid
CID 56912179
4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-2-(2H-tetrazol-5-yl)morpholine
CID 157018475
4-[3-[1-[2-(3-methoxyphenoxy)ethyl]pyrrol-2-yl]propyl]morpholine
CID 170871078
(3S,4R)-4-[ethyl-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]amino]oxolan-3-ol
CID 133122718
9-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene
CID 135111222
ethyl 4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperazine-1-carboxylate
CID 91767325
4-[3-[3-(3-morpholin-4-ylpropyl)naphthalen-2-yl]propyl]morpholine
CID 170869299
9-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162630357

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-methoxy-2-pyrazol-1-ylphenyl)propyl]morpholine?
The IUPAC name of 4-[3-(5-methoxy-2-pyrazol-1-ylphenyl)propyl]morpholine (CID 170869588) is 4-[3-(5-methoxy-2-pyrazol-1-ylphenyl)propyl]morpholine.
What is the SMILES notation for 4-[3-(5-methoxy-2-pyrazol-1-ylphenyl)propyl]morpholine?
The canonical SMILES for 4-[3-(5-methoxy-2-pyrazol-1-ylphenyl)propyl]morpholine is COc1ccc(-n2cccn2)c(CCCN2CCOCC2)c1.
What is the InChIKey of 4-[3-(5-methoxy-2-pyrazol-1-ylphenyl)propyl]morpholine?
The InChIKey is GCDLGNQFWYRMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-21-16-5-6-17(20-9-3-7-18-20)15(14-16)4-2-8-19-10-12-22-13-11-19/h3,5-7,9,14H,2,4,8,10-13H2,1H3.
What are the key properties of 4-[3-(5-methoxy-2-pyrazol-1-ylphenyl)propyl]morpholine?
4-[3-(5-methoxy-2-pyrazol-1-ylphenyl)propyl]morpholine has a molecular weight of 301.39 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-methoxy-2-pyrazol-1-ylphenyl)propyl]morpholine is sourced from PubChem (CID 170869588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).