(2S)-2-(4-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide

C15H17FN4O2 — CID 94171605

IUPAC(2S)-2-(4-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide
SMILESO=C(NCc1ccn[nH]1)N1CCO[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C15H17FN4O2/c16-12-3-1-11(2-4-12)14-10-20(7-8-22-14)15(21)17-9-13-5-6-18-19-13/h1-6,14H,7-10H2,(H,17,21)(H,18,19)/t14-/m1/s1
InChIKeyRSUWGYMQGLZTLA-CQSZACIVSA-N
MW304.32 g/mol
LogP1.83
Rot. Bonds3

About (2S)-2-(4-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide

(2S)-2-(4-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide (PubChem CID 94171605) has the molecular formula C15H17FN4O2 and a molecular weight of 304.32 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide
PubChem CID94171605
Molecular FormulaC15H17FN4O2
Molecular Weight304.32 g/mol
Exact Mass304.13
IUPAC Name(2S)-2-(4-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide
SMILESO=C(NCc1ccn[nH]1)N1CCO[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C15H17FN4O2/c16-12-3-1-11(2-4-12)14-10-20(7-8-22-14)15(21)17-9-13-5-6-18-19-13/h1-6,14H,7-10H2,(H,17,21)(H,18,19)/t14-/m1/s1
InChIKeyRSUWGYMQGLZTLA-CQSZACIVSA-N
XLogP1.83
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide?
The IUPAC name of (2S)-2-(4-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide (CID 94171605) is (2S)-2-(4-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide?
The canonical SMILES for (2S)-2-(4-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide is O=C(NCc1ccn[nH]1)N1CCO[C@@H](c2ccc(F)cc2)C1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide?
The InChIKey is RSUWGYMQGLZTLA-CQSZACIVSA-N. The full InChI is InChI=1S/C15H17FN4O2/c16-12-3-1-11(2-4-12)14-10-20(7-8-22-14)15(21)17-9-13-5-6-18-19-13/h1-6,14H,7-10H2,(H,17,21)(H,18,19)/t14-/m1/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide?
(2S)-2-(4-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide is sourced from PubChem (CID 94171605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).