3-ethyl-1-[2-[2-(3-fluorophenyl)pyrazol-3-yl]oxan-4-yl]pyrazole

C19H21FN4O — CID 141154258

IUPAC3-ethyl-1-[2-[2-(3-fluorophenyl)pyrazol-3-yl]oxan-4-yl]pyrazole
SMILESCCc1ccn(C2CCOC(c3ccnn3-c3cccc(F)c3)C2)n1
InChIInChI=1S/C19H21FN4O/c1-2-15-7-10-23(22-15)16-8-11-25-19(13-16)18-6-9-21-24(18)17-5-3-4-14(20)12-17/h3-7,9-10,12,16,19H,2,8,11,13H2,1H3
InChIKeyHDPWBWBERNDCLT-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.86
Rot. Bonds4

About 3-ethyl-1-[2-[2-(3-fluorophenyl)pyrazol-3-yl]oxan-4-yl]pyrazole

3-ethyl-1-[2-[2-(3-fluorophenyl)pyrazol-3-yl]oxan-4-yl]pyrazole (PubChem CID 141154258) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 3-ethyl-1-[2-[2-(3-fluorophenyl)pyrazol-3-yl]oxan-4-yl]pyrazole.

Molecular Properties

Compound Name3-ethyl-1-[2-[2-(3-fluorophenyl)pyrazol-3-yl]oxan-4-yl]pyrazole
PubChem CID141154258
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name3-ethyl-1-[2-[2-(3-fluorophenyl)pyrazol-3-yl]oxan-4-yl]pyrazole
SMILESCCc1ccn(C2CCOC(c3ccnn3-c3cccc(F)c3)C2)n1
InChIInChI=1S/C19H21FN4O/c1-2-15-7-10-23(22-15)16-8-11-25-19(13-16)18-6-9-21-24(18)17-5-3-4-14(20)12-17/h3-7,9-10,12,16,19H,2,8,11,13H2,1H3
InChIKeyHDPWBWBERNDCLT-UHFFFAOYSA-N
XLogP3.86
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(3-Fluorophenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 118740141
rac-(2R,3R)-2-(1-phenyl-1H-pyrazol-5-yl)oxolan-3-amine hydrochloride
CID 121553789
2-[({1-[5-fluoro-2-(1H-pyrazol-1-yl)benzyl]-3-piperidinyl}oxy)methyl]pyridine
CID 56901556
rac-(2R,3R)-2-(1-phenyl-1H-pyrazol-5-yl)oxolan-3-amine, trans
CID 121553788
4-[(1-Ethylpyrazol-4-yl)methyl]-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholine
CID 127250558
(2S,3S)-N-[[2-(methylamino)phenyl]methyl]-2-(2-phenylpyrazol-3-yl)oxolan-3-amine
CID 164634764
(r)-5-(2-Ethoxy-2-(pyridin-2-yl)ethyl)-1-(4-fluorophenyl)-5,6-dimethyl-4,5-dihydro-1h-indazole
CID 15605225
4-[3-(4-Fluorophenyl)-1-methyl-5-[1-(1-phenylethoxy)ethyl]pyrazol-4-yl]pyridine
CID 21992351
4-[3-(4-Fluorophenyl)-1-methyl-5-(1-phenylethoxymethyl)pyrazol-4-yl]pyridine
CID 21992383
4-[3-(4-Fluorophenyl)-1-methyl-5-(1-phenylmethoxyethyl)pyrazol-4-yl]pyridine
CID 21992391
4-[3-(4-Fluorophenyl)-1-methyl-5-(phenylmethoxymethyl)pyrazol-4-yl]pyridine
CID 21992401
4-[2-[[1-(3,4-Difluorophenyl)pyrazol-3-yl]methoxy]ethyl]morpholine
CID 54673650

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-[2-(3-fluorophenyl)pyrazol-3-yl]oxan-4-yl]pyrazole?
The IUPAC name of 3-ethyl-1-[2-[2-(3-fluorophenyl)pyrazol-3-yl]oxan-4-yl]pyrazole (CID 141154258) is 3-ethyl-1-[2-[2-(3-fluorophenyl)pyrazol-3-yl]oxan-4-yl]pyrazole.
What is the SMILES notation for 3-ethyl-1-[2-[2-(3-fluorophenyl)pyrazol-3-yl]oxan-4-yl]pyrazole?
The canonical SMILES for 3-ethyl-1-[2-[2-(3-fluorophenyl)pyrazol-3-yl]oxan-4-yl]pyrazole is CCc1ccn(C2CCOC(c3ccnn3-c3cccc(F)c3)C2)n1.
What is the InChIKey of 3-ethyl-1-[2-[2-(3-fluorophenyl)pyrazol-3-yl]oxan-4-yl]pyrazole?
The InChIKey is HDPWBWBERNDCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-2-15-7-10-23(22-15)16-8-11-25-19(13-16)18-6-9-21-24(18)17-5-3-4-14(20)12-17/h3-7,9-10,12,16,19H,2,8,11,13H2,1H3.
What are the key properties of 3-ethyl-1-[2-[2-(3-fluorophenyl)pyrazol-3-yl]oxan-4-yl]pyrazole?
3-ethyl-1-[2-[2-(3-fluorophenyl)pyrazol-3-yl]oxan-4-yl]pyrazole has a molecular weight of 340.40 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-[2-(3-fluorophenyl)pyrazol-3-yl]oxan-4-yl]pyrazole is sourced from PubChem (CID 141154258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).