1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one

C17H20FN3O2 — CID 124567870

IUPAC1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
SMILESCn1nccc1CCC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C17H20FN3O2/c1-20-15(8-9-19-20)6-7-17(22)21-10-11-23-16(12-21)13-2-4-14(18)5-3-13/h2-5,8-9,16H,6-7,10-12H2,1H3/t16-/m1/s1
InChIKeyCACPEKVBGSDPMV-MRXNPFEDSA-N
MW317.36 g/mol
LogP2.09
Rot. Bonds4

About 1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one

1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one (PubChem CID 124567870) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
PubChem CID124567870
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
SMILESCn1nccc1CCC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C17H20FN3O2/c1-20-15(8-9-19-20)6-7-17(22)21-10-11-23-16(12-21)13-2-4-14(18)5-3-13/h2-5,8-9,16H,6-7,10-12H2,1H3/t16-/m1/s1
InChIKeyCACPEKVBGSDPMV-MRXNPFEDSA-N
XLogP2.09
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one?
The IUPAC name of 1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one (CID 124567870) is 1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one.
What is the SMILES notation for 1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one?
The canonical SMILES for 1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one is Cn1nccc1CCC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1.
What is the InChIKey of 1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one?
The InChIKey is CACPEKVBGSDPMV-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-20-15(8-9-19-20)6-7-17(22)21-10-11-23-16(12-21)13-2-4-14(18)5-3-13/h2-5,8-9,16H,6-7,10-12H2,1H3/t16-/m1/s1.
What are the key properties of 1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one?
1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one has a molecular weight of 317.36 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one is sourced from PubChem (CID 124567870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).