4-[3-[(3,4-difluorophenyl)-(5-methyl-1H-pyrazol-3-yl)methoxy]propyl]morpholine

C18H23F2N3O2 — CID 67991976

IUPAC4-[3-[(3,4-difluorophenyl)-(5-methyl-1H-pyrazol-3-yl)methoxy]propyl]morpholine
SMILESCc1cc(C(OCCCN2CCOCC2)c2ccc(F)c(F)c2)n[nH]1
InChIInChI=1S/C18H23F2N3O2/c1-13-11-17(22-21-13)18(14-3-4-15(19)16(20)12-14)25-8-2-5-23-6-9-24-10-7-23/h3-4,11-12,18H,2,5-10H2,1H3,(H,21,22)
InChIKeyUXHWHTDKWIPDPW-UHFFFAOYSA-N
MW351.40 g/mol
LogP2.82
Rot. Bonds7

About 4-[3-[(3,4-difluorophenyl)-(5-methyl-1H-pyrazol-3-yl)methoxy]propyl]morpholine

4-[3-[(3,4-difluorophenyl)-(5-methyl-1H-pyrazol-3-yl)methoxy]propyl]morpholine (PubChem CID 67991976) has the molecular formula C18H23F2N3O2 and a molecular weight of 351.40 g/mol. Its IUPAC name is 4-[3-[(3,4-difluorophenyl)-(5-methyl-1H-pyrazol-3-yl)methoxy]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[(3,4-difluorophenyl)-(5-methyl-1H-pyrazol-3-yl)methoxy]propyl]morpholine
PubChem CID67991976
Molecular FormulaC18H23F2N3O2
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC Name4-[3-[(3,4-difluorophenyl)-(5-methyl-1H-pyrazol-3-yl)methoxy]propyl]morpholine
SMILESCc1cc(C(OCCCN2CCOCC2)c2ccc(F)c(F)c2)n[nH]1
InChIInChI=1S/C18H23F2N3O2/c1-13-11-17(22-21-13)18(14-3-4-15(19)16(20)12-14)25-8-2-5-23-6-9-24-10-7-23/h3-4,11-12,18H,2,5-10H2,1H3,(H,21,22)
InChIKeyUXHWHTDKWIPDPW-UHFFFAOYSA-N
XLogP2.82
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-phenylmethoxy-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol
CID 51104641
4-[(5-Tert-butyl-1H-pyrazol-3-YL)methyl]-2-(2-phenylethyl)morpholine
CID 56877602
2-(4-fluorobenzyl)-4-[(3-methyl-1H-pyrazol-5-yl)methyl]morpholine
CID 45201512
1-(2-fluorophenyl)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]propan-2-amine
CID 50962921
N-[(2S*,4R*,6S*)-2-benzyl-6-(5-tert-butyl-1H-pyrazol-3-yl)tetrahydro-2H-pyran-4-yl]acetamide
CID 50970864
(2S)-1-(2-fluorophenyl)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]propan-2-amine
CID 95127174
3,6-Dihydro-4-(3-ethyl-5-pyrazolyl)-alpha-(p-fluorophenyl)-1(2H)-pyridinebutanol
CID 21505647
(2R,3S,5R)-5-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine
CID 24781047
(3S,5R)-5-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine
CID 57825711
3-(3,4-Difluorophenyl)-1,4,5,7-tetrahydropyrano[3,4-c]pyrazole
CID 59345352
5-[(3R,5S,6R)-5-amino-6-(2,4,5-trifluorophenyl)oxan-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carbonitrile
CID 67964968
5-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carbonitrile
CID 67964969

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3,4-difluorophenyl)-(5-methyl-1H-pyrazol-3-yl)methoxy]propyl]morpholine?
The IUPAC name of 4-[3-[(3,4-difluorophenyl)-(5-methyl-1H-pyrazol-3-yl)methoxy]propyl]morpholine (CID 67991976) is 4-[3-[(3,4-difluorophenyl)-(5-methyl-1H-pyrazol-3-yl)methoxy]propyl]morpholine.
What is the SMILES notation for 4-[3-[(3,4-difluorophenyl)-(5-methyl-1H-pyrazol-3-yl)methoxy]propyl]morpholine?
The canonical SMILES for 4-[3-[(3,4-difluorophenyl)-(5-methyl-1H-pyrazol-3-yl)methoxy]propyl]morpholine is Cc1cc(C(OCCCN2CCOCC2)c2ccc(F)c(F)c2)n[nH]1.
What is the InChIKey of 4-[3-[(3,4-difluorophenyl)-(5-methyl-1H-pyrazol-3-yl)methoxy]propyl]morpholine?
The InChIKey is UXHWHTDKWIPDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O2/c1-13-11-17(22-21-13)18(14-3-4-15(19)16(20)12-14)25-8-2-5-23-6-9-24-10-7-23/h3-4,11-12,18H,2,5-10H2,1H3,(H,21,22).
What are the key properties of 4-[3-[(3,4-difluorophenyl)-(5-methyl-1H-pyrazol-3-yl)methoxy]propyl]morpholine?
4-[3-[(3,4-difluorophenyl)-(5-methyl-1H-pyrazol-3-yl)methoxy]propyl]morpholine has a molecular weight of 351.40 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3,4-difluorophenyl)-(5-methyl-1H-pyrazol-3-yl)methoxy]propyl]morpholine is sourced from PubChem (CID 67991976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).