(1S)-2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]-1-(3-fluorophenyl)ethanol

C18H25FN4O2 — CID 95138920

IUPAC(1S)-2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]-1-(3-fluorophenyl)ethanol
SMILESCc1nn(C)c(N2CCOCC2)c1CNC[C@@H](O)c1cccc(F)c1
InChIInChI=1S/C18H25FN4O2/c1-13-16(18(22(2)21-13)23-6-8-25-9-7-23)11-20-12-17(24)14-4-3-5-15(19)10-14/h3-5,10,17,20,24H,6-9,11-12H2,1-2H3/t17-/m1/s1
InChIKeyZAQDXYFOFVRZKH-QGZVFWFLSA-N
MW348.42 g/mol
LogP1.53
Rot. Bonds6

About (1S)-2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]-1-(3-fluorophenyl)ethanol

(1S)-2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]-1-(3-fluorophenyl)ethanol (PubChem CID 95138920) has the molecular formula C18H25FN4O2 and a molecular weight of 348.42 g/mol. Its IUPAC name is (1S)-2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]-1-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name(1S)-2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]-1-(3-fluorophenyl)ethanol
PubChem CID95138920
Molecular FormulaC18H25FN4O2
Molecular Weight348.42 g/mol
Exact Mass348.20
IUPAC Name(1S)-2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]-1-(3-fluorophenyl)ethanol
SMILESCc1nn(C)c(N2CCOCC2)c1CNC[C@@H](O)c1cccc(F)c1
InChIInChI=1S/C18H25FN4O2/c1-13-16(18(22(2)21-13)23-6-8-25-9-7-23)11-20-12-17(24)14-4-3-5-15(19)10-14/h3-5,10,17,20,24H,6-9,11-12H2,1-2H3/t17-/m1/s1
InChIKeyZAQDXYFOFVRZKH-QGZVFWFLSA-N
XLogP1.53
TPSA62.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 51105247
(2R)-2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]-2-phenylacetamide
CID 95138985
(1S)-1-(3-fluorophenyl)-2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]ethanol
CID 95149147
1-(4-fluorophenoxy)-3-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol
CID 86884985
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
CID 62407467
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 55134728
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
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]methanamine
CID 51105035
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-phenyl-2-(1,2,4-triazol-1-yl)ethanamine
CID 86887647
1-(4-bromophenyl)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]propan-1-amine
CID 86884827
(1R)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 124549015

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]-1-(3-fluorophenyl)ethanol?
The IUPAC name of (1S)-2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]-1-(3-fluorophenyl)ethanol (CID 95138920) is (1S)-2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]-1-(3-fluorophenyl)ethanol.
What is the SMILES notation for (1S)-2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]-1-(3-fluorophenyl)ethanol?
The canonical SMILES for (1S)-2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]-1-(3-fluorophenyl)ethanol is Cc1nn(C)c(N2CCOCC2)c1CNC[C@@H](O)c1cccc(F)c1.
What is the InChIKey of (1S)-2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]-1-(3-fluorophenyl)ethanol?
The InChIKey is ZAQDXYFOFVRZKH-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H25FN4O2/c1-13-16(18(22(2)21-13)23-6-8-25-9-7-23)11-20-12-17(24)14-4-3-5-15(19)10-14/h3-5,10,17,20,24H,6-9,11-12H2,1-2H3/t17-/m1/s1.
What are the key properties of (1S)-2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]-1-(3-fluorophenyl)ethanol?
(1S)-2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]-1-(3-fluorophenyl)ethanol has a molecular weight of 348.42 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]-1-(3-fluorophenyl)ethanol is sourced from PubChem (CID 95138920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).