(2R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-fluorophenyl)morpholine-4-carboxamide

C16H18FN5O3 — CID 95134155

IUPAC(2R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-fluorophenyl)morpholine-4-carboxamide
SMILESNC(=O)Cn1cc(NC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)cn1
InChIInChI=1S/C16H18FN5O3/c17-12-3-1-11(2-4-12)14-9-21(5-6-25-14)16(24)20-13-7-19-22(8-13)10-15(18)23/h1-4,7-8,14H,5-6,9-10H2,(H2,18,23)(H,20,24)/t14-/m0/s1
InChIKeyXPGQNUVUNPYCIY-AWEZNQCLSA-N
MW347.35 g/mol
LogP1.11
Rot. Bonds4

About (2R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-fluorophenyl)morpholine-4-carboxamide

(2R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-fluorophenyl)morpholine-4-carboxamide (PubChem CID 95134155) has the molecular formula C16H18FN5O3 and a molecular weight of 347.35 g/mol. Its IUPAC name is (2R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-fluorophenyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-fluorophenyl)morpholine-4-carboxamide
PubChem CID95134155
Molecular FormulaC16H18FN5O3
Molecular Weight347.35 g/mol
Exact Mass347.14
IUPAC Name(2R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-fluorophenyl)morpholine-4-carboxamide
SMILESNC(=O)Cn1cc(NC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)cn1
InChIInChI=1S/C16H18FN5O3/c17-12-3-1-11(2-4-12)14-9-21(5-6-25-14)16(24)20-13-7-19-22(8-13)10-15(18)23/h1-4,7-8,14H,5-6,9-10H2,(H2,18,23)(H,20,24)/t14-/m0/s1
InChIKeyXPGQNUVUNPYCIY-AWEZNQCLSA-N
XLogP1.11
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-fluorophenyl)morpholine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-N-(4-iodophenyl)morpholine-4-carboxamide
CID 55696920
2-(4-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide
CID 55698518
methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate
CID 67353366
2-(4-fluorophenyl)-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 84524231
2-(3,4-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)morpholine-4-carboxamide
CID 146143233
3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid
CID 62231452
2-(4-fluoroanilino)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 146126544
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-propan-2-ylmorpholine-4-carboxamide
CID 75448476
(3R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(methanesulfonamido)piperidine-1-carboxamide
CID 95141524
2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 51889846
4-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-4-oxobutane-1-sulfonamide
CID 95486481
6-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]hexan-1-one
CID 60963489

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-fluorophenyl)morpholine-4-carboxamide?
The IUPAC name of (2R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-fluorophenyl)morpholine-4-carboxamide (CID 95134155) is (2R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-fluorophenyl)morpholine-4-carboxamide.
What is the SMILES notation for (2R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-fluorophenyl)morpholine-4-carboxamide?
The canonical SMILES for (2R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-fluorophenyl)morpholine-4-carboxamide is NC(=O)Cn1cc(NC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)cn1.
What is the InChIKey of (2R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-fluorophenyl)morpholine-4-carboxamide?
The InChIKey is XPGQNUVUNPYCIY-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18FN5O3/c17-12-3-1-11(2-4-12)14-9-21(5-6-25-14)16(24)20-13-7-19-22(8-13)10-15(18)23/h1-4,7-8,14H,5-6,9-10H2,(H2,18,23)(H,20,24)/t14-/m0/s1.
What are the key properties of (2R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-fluorophenyl)morpholine-4-carboxamide?
(2R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-fluorophenyl)morpholine-4-carboxamide has a molecular weight of 347.35 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-fluorophenyl)morpholine-4-carboxamide is sourced from PubChem (CID 95134155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).