(2S)-N-[1-[(2-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-4-methylmorpholine-2-carboxamide

C17H21FN4O2 — CID 164635247

IUPAC(2S)-N-[1-[(2-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-4-methylmorpholine-2-carboxamide
SMILESCc1cnn(Cc2ccccc2F)c1NC(=O)[C@@H]1CN(C)CCO1
InChIInChI=1S/C17H21FN4O2/c1-12-9-19-22(10-13-5-3-4-6-14(13)18)16(12)20-17(23)15-11-21(2)7-8-24-15/h3-6,9,15H,7-8,10-11H2,1-2H3,(H,20,23)/t15-/m0/s1
InChIKeyJAVSFCWBJQIEPM-HNNXBMFYSA-N
MW332.38 g/mol
LogP1.65
Rot. Bonds4

About (2S)-N-[1-[(2-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-4-methylmorpholine-2-carboxamide

(2S)-N-[1-[(2-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-4-methylmorpholine-2-carboxamide (PubChem CID 164635247) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is (2S)-N-[1-[(2-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-4-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[1-[(2-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-4-methylmorpholine-2-carboxamide
PubChem CID164635247
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name(2S)-N-[1-[(2-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-4-methylmorpholine-2-carboxamide
SMILESCc1cnn(Cc2ccccc2F)c1NC(=O)[C@@H]1CN(C)CCO1
InChIInChI=1S/C17H21FN4O2/c1-12-9-19-22(10-13-5-3-4-6-14(13)18)16(12)20-17(23)15-11-21(2)7-8-24-15/h3-6,9,15H,7-8,10-11H2,1-2H3,(H,20,23)/t15-/m0/s1
InChIKeyJAVSFCWBJQIEPM-HNNXBMFYSA-N
XLogP1.65
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-[(2-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-4-methylmorpholine-2-carboxamide?
The IUPAC name of (2S)-N-[1-[(2-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-4-methylmorpholine-2-carboxamide (CID 164635247) is (2S)-N-[1-[(2-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-4-methylmorpholine-2-carboxamide.
What is the SMILES notation for (2S)-N-[1-[(2-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-4-methylmorpholine-2-carboxamide?
The canonical SMILES for (2S)-N-[1-[(2-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-4-methylmorpholine-2-carboxamide is Cc1cnn(Cc2ccccc2F)c1NC(=O)[C@@H]1CN(C)CCO1.
What is the InChIKey of (2S)-N-[1-[(2-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-4-methylmorpholine-2-carboxamide?
The InChIKey is JAVSFCWBJQIEPM-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-12-9-19-22(10-13-5-3-4-6-14(13)18)16(12)20-17(23)15-11-21(2)7-8-24-15/h3-6,9,15H,7-8,10-11H2,1-2H3,(H,20,23)/t15-/m0/s1.
What are the key properties of (2S)-N-[1-[(2-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-4-methylmorpholine-2-carboxamide?
(2S)-N-[1-[(2-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-4-methylmorpholine-2-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-[(2-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-4-methylmorpholine-2-carboxamide is sourced from PubChem (CID 164635247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).