N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(5-phenylpyrazol-1-yl)benzamide

C23H24N4O3 — CID 95591250

IUPACN-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(5-phenylpyrazol-1-yl)benzamide
SMILESC[C@H](NC(=O)c1cccc(-n2nccc2-c2ccccc2)c1)C(=O)N1CCOCC1
InChIInChI=1S/C23H24N4O3/c1-17(23(29)26-12-14-30-15-13-26)25-22(28)19-8-5-9-20(16-19)27-21(10-11-24-27)18-6-3-2-4-7-18/h2-11,16-17H,12-15H2,1H3,(H,25,28)/t17-/m0/s1
InChIKeyRVVBESWWCOUUCW-KRWDZBQOSA-N
MW404.47 g/mol
LogP2.52
Rot. Bonds5

About N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(5-phenylpyrazol-1-yl)benzamide

N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(5-phenylpyrazol-1-yl)benzamide (PubChem CID 95591250) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(5-phenylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(5-phenylpyrazol-1-yl)benzamide
PubChem CID95591250
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(5-phenylpyrazol-1-yl)benzamide
SMILESC[C@H](NC(=O)c1cccc(-n2nccc2-c2ccccc2)c1)C(=O)N1CCOCC1
InChIInChI=1S/C23H24N4O3/c1-17(23(29)26-12-14-30-15-13-26)25-22(28)19-8-5-9-20(16-19)27-21(10-11-24-27)18-6-3-2-4-7-18/h2-11,16-17H,12-15H2,1H3,(H,25,28)/t17-/m0/s1
InChIKeyRVVBESWWCOUUCW-KRWDZBQOSA-N
XLogP2.52
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(5-phenylpyrazol-1-yl)benzamide?
The IUPAC name of N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(5-phenylpyrazol-1-yl)benzamide (CID 95591250) is N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(5-phenylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(5-phenylpyrazol-1-yl)benzamide?
The canonical SMILES for N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(5-phenylpyrazol-1-yl)benzamide is C[C@H](NC(=O)c1cccc(-n2nccc2-c2ccccc2)c1)C(=O)N1CCOCC1.
What is the InChIKey of N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(5-phenylpyrazol-1-yl)benzamide?
The InChIKey is RVVBESWWCOUUCW-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-17(23(29)26-12-14-30-15-13-26)25-22(28)19-8-5-9-20(16-19)27-21(10-11-24-27)18-6-3-2-4-7-18/h2-11,16-17H,12-15H2,1H3,(H,25,28)/t17-/m0/s1.
What are the key properties of N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(5-phenylpyrazol-1-yl)benzamide?
N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(5-phenylpyrazol-1-yl)benzamide has a molecular weight of 404.47 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(5-phenylpyrazol-1-yl)benzamide is sourced from PubChem (CID 95591250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).