[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone

C16H18FN3O2 — CID 40789404

IUPAC[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone
SMILESC[C@H]1CN(C(=O)c2cn[nH]c2-c2ccc(F)cc2)C[C@H](C)O1
InChIInChI=1S/C16H18FN3O2/c1-10-8-20(9-11(2)22-10)16(21)14-7-18-19-15(14)12-3-5-13(17)6-4-12/h3-7,10-11H,8-9H2,1-2H3,(H,18,19)/t10-,11-/m0/s1
InChIKeyZKNSGGUCRBNNOE-QWRGUYRKSA-N
MW303.34 g/mol
LogP2.47
Rot. Bonds2

About [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone

[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone (PubChem CID 40789404) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone.

Molecular Properties

Compound Name[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone
PubChem CID40789404
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone
SMILESC[C@H]1CN(C(=O)c2cn[nH]c2-c2ccc(F)cc2)C[C@H](C)O1
InChIInChI=1S/C16H18FN3O2/c1-10-8-20(9-11(2)22-10)16(21)14-7-18-19-15(14)12-3-5-13(17)6-4-12/h3-7,10-11H,8-9H2,1-2H3,(H,18,19)/t10-,11-/m0/s1
InChIKeyZKNSGGUCRBNNOE-QWRGUYRKSA-N
XLogP2.47
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone?
The IUPAC name of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone (CID 40789404) is [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone.
What is the SMILES notation for [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone?
The canonical SMILES for [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone is C[C@H]1CN(C(=O)c2cn[nH]c2-c2ccc(F)cc2)C[C@H](C)O1.
What is the InChIKey of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone?
The InChIKey is ZKNSGGUCRBNNOE-QWRGUYRKSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-10-8-20(9-11(2)22-10)16(21)14-7-18-19-15(14)12-3-5-13(17)6-4-12/h3-7,10-11H,8-9H2,1-2H3,(H,18,19)/t10-,11-/m0/s1.
What are the key properties of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone?
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone has a molecular weight of 303.34 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone is sourced from PubChem (CID 40789404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).