4-[4-[1-[3-(3-fluoropyrrolidin-1-yl)phenyl]-3-propan-2-ylpyrazol-4-yl]phenyl]morpholine

C26H31FN4O — CID 138707904

IUPAC4-[4-[1-[3-(3-fluoropyrrolidin-1-yl)phenyl]-3-propan-2-ylpyrazol-4-yl]phenyl]morpholine
SMILESCC(C)c1nn(-c2cccc(N3CCC(F)C3)c2)cc1-c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C26H31FN4O/c1-19(2)26-25(20-6-8-22(9-7-20)29-12-14-32-15-13-29)18-31(28-26)24-5-3-4-23(16-24)30-11-10-21(27)17-30/h3-9,16,18-19,21H,10-15,17H2,1-2H3
InChIKeyLYTDFYPYIKMWOP-UHFFFAOYSA-N
MW434.56 g/mol
LogP5.05
Rot. Bonds5

About 4-[4-[1-[3-(3-fluoropyrrolidin-1-yl)phenyl]-3-propan-2-ylpyrazol-4-yl]phenyl]morpholine

4-[4-[1-[3-(3-fluoropyrrolidin-1-yl)phenyl]-3-propan-2-ylpyrazol-4-yl]phenyl]morpholine (PubChem CID 138707904) has the molecular formula C26H31FN4O and a molecular weight of 434.56 g/mol. Its IUPAC name is 4-[4-[1-[3-(3-fluoropyrrolidin-1-yl)phenyl]-3-propan-2-ylpyrazol-4-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[1-[3-(3-fluoropyrrolidin-1-yl)phenyl]-3-propan-2-ylpyrazol-4-yl]phenyl]morpholine
PubChem CID138707904
Molecular FormulaC26H31FN4O
Molecular Weight434.56 g/mol
Exact Mass434.25
IUPAC Name4-[4-[1-[3-(3-fluoropyrrolidin-1-yl)phenyl]-3-propan-2-ylpyrazol-4-yl]phenyl]morpholine
SMILESCC(C)c1nn(-c2cccc(N3CCC(F)C3)c2)cc1-c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C26H31FN4O/c1-19(2)26-25(20-6-8-22(9-7-20)29-12-14-32-15-13-29)18-31(28-26)24-5-3-4-23(16-24)30-11-10-21(27)17-30/h3-9,16,18-19,21H,10-15,17H2,1-2H3
InChIKeyLYTDFYPYIKMWOP-UHFFFAOYSA-N
XLogP5.05
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.56
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-Methylphenyl)-1-phenylpyrazol-4-yl]-1-morpholin-4-ylethanethione
CID 2121563
4,5,6,7-tetrahydro-4-(2-(morpholin-4-yl)ethyl)-1-phenyl-1H-indazole
CID 11531451
US12391696, Example 1
CID 155591380
N-{[1-(2,4-difluorophenyl)-3-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}-2-methoxy-N-methylethanamine
CID 16187753
3-[2-({[3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}amino)ethyl]-1,3-oxazolidin-2-one
CID 16188420
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 16188428
N,N-dimethyl-1-{4-[2-methyl-4-(1H-pyrazol-1-yl)benzyl]-1,4-oxazepan-6-yl}methanamine
CID 56891183
1-ethyl-4-{[{[3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}(methyl)amino]methyl}pyrrolidin-2-one
CID 16189820
N-[(E)-(1,3-diphenyl-1H-pyrazol-4-yl)methylidene]-N-(4-morpholinyl)amine
CID 9553542
1-[1-(2,5-dimethylphenyl)-3-phenyl-1H-pyrazol-4-yl]-N-{[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl}methanamine
CID 16191926
2-{4-[({[3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}amino)methyl]-1-piperidinyl}ethanol
CID 42210143
({1-[2-(4-fluorophenyl)ethyl]-4-piperidinyl}methyl)methyl[4-(1H-pyrazol-1-yl)benzyl]amine
CID 42363923

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[3-(3-fluoropyrrolidin-1-yl)phenyl]-3-propan-2-ylpyrazol-4-yl]phenyl]morpholine?
The IUPAC name of 4-[4-[1-[3-(3-fluoropyrrolidin-1-yl)phenyl]-3-propan-2-ylpyrazol-4-yl]phenyl]morpholine (CID 138707904) is 4-[4-[1-[3-(3-fluoropyrrolidin-1-yl)phenyl]-3-propan-2-ylpyrazol-4-yl]phenyl]morpholine.
What is the SMILES notation for 4-[4-[1-[3-(3-fluoropyrrolidin-1-yl)phenyl]-3-propan-2-ylpyrazol-4-yl]phenyl]morpholine?
The canonical SMILES for 4-[4-[1-[3-(3-fluoropyrrolidin-1-yl)phenyl]-3-propan-2-ylpyrazol-4-yl]phenyl]morpholine is CC(C)c1nn(-c2cccc(N3CCC(F)C3)c2)cc1-c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 4-[4-[1-[3-(3-fluoropyrrolidin-1-yl)phenyl]-3-propan-2-ylpyrazol-4-yl]phenyl]morpholine?
The InChIKey is LYTDFYPYIKMWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O/c1-19(2)26-25(20-6-8-22(9-7-20)29-12-14-32-15-13-29)18-31(28-26)24-5-3-4-23(16-24)30-11-10-21(27)17-30/h3-9,16,18-19,21H,10-15,17H2,1-2H3.
What are the key properties of 4-[4-[1-[3-(3-fluoropyrrolidin-1-yl)phenyl]-3-propan-2-ylpyrazol-4-yl]phenyl]morpholine?
4-[4-[1-[3-(3-fluoropyrrolidin-1-yl)phenyl]-3-propan-2-ylpyrazol-4-yl]phenyl]morpholine has a molecular weight of 434.56 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-[3-(3-fluoropyrrolidin-1-yl)phenyl]-3-propan-2-ylpyrazol-4-yl]phenyl]morpholine is sourced from PubChem (CID 138707904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).