4-[2-[(3,4-difluorophenyl)-(5-methyl-1H-pyrazol-3-yl)methoxy]ethyl]morpholine

C17H21F2N3O2 — CID 67992015

IUPAC4-[2-[(3,4-difluorophenyl)-(5-methyl-1H-pyrazol-3-yl)methoxy]ethyl]morpholine
SMILESCc1cc(C(OCCN2CCOCC2)c2ccc(F)c(F)c2)n[nH]1
InChIInChI=1S/C17H21F2N3O2/c1-12-10-16(21-20-12)17(13-2-3-14(18)15(19)11-13)24-9-6-22-4-7-23-8-5-22/h2-3,10-11,17H,4-9H2,1H3,(H,20,21)
InChIKeyYINSORUKYFBIRM-UHFFFAOYSA-N
MW337.37 g/mol
LogP2.43
Rot. Bonds6

About 4-[2-[(3,4-difluorophenyl)-(5-methyl-1H-pyrazol-3-yl)methoxy]ethyl]morpholine

4-[2-[(3,4-difluorophenyl)-(5-methyl-1H-pyrazol-3-yl)methoxy]ethyl]morpholine (PubChem CID 67992015) has the molecular formula C17H21F2N3O2 and a molecular weight of 337.37 g/mol. Its IUPAC name is 4-[2-[(3,4-difluorophenyl)-(5-methyl-1H-pyrazol-3-yl)methoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(3,4-difluorophenyl)-(5-methyl-1H-pyrazol-3-yl)methoxy]ethyl]morpholine
PubChem CID67992015
Molecular FormulaC17H21F2N3O2
Molecular Weight337.37 g/mol
Exact Mass337.16
IUPAC Name4-[2-[(3,4-difluorophenyl)-(5-methyl-1H-pyrazol-3-yl)methoxy]ethyl]morpholine
SMILESCc1cc(C(OCCN2CCOCC2)c2ccc(F)c(F)c2)n[nH]1
InChIInChI=1S/C17H21F2N3O2/c1-12-10-16(21-20-12)17(13-2-3-14(18)15(19)11-13)24-9-6-22-4-7-23-8-5-22/h2-3,10-11,17H,4-9H2,1H3,(H,20,21)
InChIKeyYINSORUKYFBIRM-UHFFFAOYSA-N
XLogP2.43
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-Tert-butyl-1H-pyrazol-3-YL)methyl]-2-(2-phenylethyl)morpholine
CID 56877602
5-(diethoxymethyl)-3-(4-fluorophenyl)-1H-pyrazole
CID 81174511
5-(1,3-dioxan-2-yl)-3-(4-fluorophenyl)-1H-pyrazole
CID 155932702
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-(2,4,5-Trifluorophenyl)-1,4,5,7-tetrahydropyrano[3,4-c]pyrazole
CID 59345342
3-(3,4-Difluorophenyl)-1,4,5,7-tetrahydropyrano[3,4-c]pyrazole
CID 59345352

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3,4-difluorophenyl)-(5-methyl-1H-pyrazol-3-yl)methoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[(3,4-difluorophenyl)-(5-methyl-1H-pyrazol-3-yl)methoxy]ethyl]morpholine (CID 67992015) is 4-[2-[(3,4-difluorophenyl)-(5-methyl-1H-pyrazol-3-yl)methoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(3,4-difluorophenyl)-(5-methyl-1H-pyrazol-3-yl)methoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[(3,4-difluorophenyl)-(5-methyl-1H-pyrazol-3-yl)methoxy]ethyl]morpholine is Cc1cc(C(OCCN2CCOCC2)c2ccc(F)c(F)c2)n[nH]1.
What is the InChIKey of 4-[2-[(3,4-difluorophenyl)-(5-methyl-1H-pyrazol-3-yl)methoxy]ethyl]morpholine?
The InChIKey is YINSORUKYFBIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O2/c1-12-10-16(21-20-12)17(13-2-3-14(18)15(19)11-13)24-9-6-22-4-7-23-8-5-22/h2-3,10-11,17H,4-9H2,1H3,(H,20,21).
What are the key properties of 4-[2-[(3,4-difluorophenyl)-(5-methyl-1H-pyrazol-3-yl)methoxy]ethyl]morpholine?
4-[2-[(3,4-difluorophenyl)-(5-methyl-1H-pyrazol-3-yl)methoxy]ethyl]morpholine has a molecular weight of 337.37 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3,4-difluorophenyl)-(5-methyl-1H-pyrazol-3-yl)methoxy]ethyl]morpholine is sourced from PubChem (CID 67992015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).