1-(4-fluorophenoxy)-3-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol

C21H31FN4O3 — CID 86884985

IUPAC1-(4-fluorophenoxy)-3-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol
SMILESCC(C)c1nn(C)c(N2CCOCC2)c1CNCC(O)COc1ccc(F)cc1
InChIInChI=1S/C21H31FN4O3/c1-15(2)20-19(21(25(3)24-20)26-8-10-28-11-9-26)13-23-12-17(27)14-29-18-6-4-16(22)5-7-18/h4-7,15,17,23,27H,8-14H2,1-3H3
InChIKeyIRQOUALFGFAZFT-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.05
Rot. Bonds9

About 1-(4-fluorophenoxy)-3-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol

1-(4-fluorophenoxy)-3-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol (PubChem CID 86884985) has the molecular formula C21H31FN4O3 and a molecular weight of 406.50 g/mol. Its IUPAC name is 1-(4-fluorophenoxy)-3-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenoxy)-3-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol
PubChem CID86884985
Molecular FormulaC21H31FN4O3
Molecular Weight406.50 g/mol
Exact Mass406.24
IUPAC Name1-(4-fluorophenoxy)-3-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol
SMILESCC(C)c1nn(C)c(N2CCOCC2)c1CNCC(O)COc1ccc(F)cc1
InChIInChI=1S/C21H31FN4O3/c1-15(2)20-19(21(25(3)24-20)26-8-10-28-11-9-26)13-23-12-17(27)14-29-18-6-4-16(22)5-7-18/h4-7,15,17,23,27H,8-14H2,1-3H3
InChIKeyIRQOUALFGFAZFT-UHFFFAOYSA-N
XLogP2.05
TPSA71.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol
CID 51104664
3-methyl-1-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]butan-2-ol
CID 111421990
4-methyl-5-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-2-ol
CID 111448755
1-[4-(2-methoxyethoxy)phenyl]-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 86884947
(2R)-1-(4-fluorophenoxy)-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol
CID 94815890
1-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-3-phenoxypropan-2-ol
CID 51104909
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 78971544
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 111104680
(1S)-2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]-1-(3-fluorophenyl)ethanol
CID 95138920
1-[(1,3-dimethylpyrazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 109480038
N-[2-[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]morpholine-4-carboxamide
CID 155021513
2-(benzenesulfonyl)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 86884963

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenoxy)-3-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol?
The IUPAC name of 1-(4-fluorophenoxy)-3-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol (CID 86884985) is 1-(4-fluorophenoxy)-3-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(4-fluorophenoxy)-3-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-(4-fluorophenoxy)-3-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol is CC(C)c1nn(C)c(N2CCOCC2)c1CNCC(O)COc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenoxy)-3-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol?
The InChIKey is IRQOUALFGFAZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FN4O3/c1-15(2)20-19(21(25(3)24-20)26-8-10-28-11-9-26)13-23-12-17(27)14-29-18-6-4-16(22)5-7-18/h4-7,15,17,23,27H,8-14H2,1-3H3.
What are the key properties of 1-(4-fluorophenoxy)-3-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol?
1-(4-fluorophenoxy)-3-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol has a molecular weight of 406.50 g/mol, XLogP of 2.05, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenoxy)-3-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol is sourced from PubChem (CID 86884985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).