2-[(2S)-4-(1-benzyl-5-methylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid

C18H21N3O4 — CID 124697770

IUPAC2-[(2S)-4-(1-benzyl-5-methylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
SMILESCc1c(C(=O)N2CCO[C@@H](CC(=O)O)C2)cnn1Cc1ccccc1
InChIInChI=1S/C18H21N3O4/c1-13-16(10-19-21(13)11-14-5-3-2-4-6-14)18(24)20-7-8-25-15(12-20)9-17(22)23/h2-6,10,15H,7-9,11-12H2,1H3,(H,22,23)/t15-/m0/s1
InChIKeyANSFOZVCGJONFK-HNNXBMFYSA-N
MW343.38 g/mol
LogP1.56
Rot. Bonds5

About 2-[(2S)-4-(1-benzyl-5-methylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid

2-[(2S)-4-(1-benzyl-5-methylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid (PubChem CID 124697770) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-[(2S)-4-(1-benzyl-5-methylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-4-(1-benzyl-5-methylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
PubChem CID124697770
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name2-[(2S)-4-(1-benzyl-5-methylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
SMILESCc1c(C(=O)N2CCO[C@@H](CC(=O)O)C2)cnn1Cc1ccccc1
InChIInChI=1S/C18H21N3O4/c1-13-16(10-19-21(13)11-14-5-3-2-4-6-14)18(24)20-7-8-25-15(12-20)9-17(22)23/h2-6,10,15H,7-9,11-12H2,1H3,(H,22,23)/t15-/m0/s1
InChIKeyANSFOZVCGJONFK-HNNXBMFYSA-N
XLogP1.56
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-4-(5-methyl-1-phenylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124697804
(1-benzyl-5-ethylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone
CID 78873214
(1-benzyl-5-methylpyrazol-4-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023082
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(1-benzyl-5-methylpyrazol-4-yl)methanone
CID 56817963
2-[4-[1-ethyl-5-(trifluoromethyl)pyrazole-4-carbonyl]morpholin-2-yl]acetic acid
CID 119248051
2-[(2S)-4-[2-(2-phenylethyl)benzoyl]morpholin-2-yl]acetic acid
CID 124702643
1-(1-benzyl-5-methylpyrazole-4-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118733
(1-benzyl-5-methylpyrazol-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563358
2-[(2R)-4-[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]morpholin-2-yl]acetic acid
CID 124684984
2-[(2S)-4-(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124698603
2-[4-(5-chloro-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82883345
[3-(1-aminoethyl)piperidin-1-yl]-(1-benzyl-5-methylpyrazol-4-yl)methanone
CID 119596149

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-(1-benzyl-5-methylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-4-(1-benzyl-5-methylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid (CID 124697770) is 2-[(2S)-4-(1-benzyl-5-methylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-4-(1-benzyl-5-methylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-4-(1-benzyl-5-methylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid is Cc1c(C(=O)N2CCO[C@@H](CC(=O)O)C2)cnn1Cc1ccccc1.
What is the InChIKey of 2-[(2S)-4-(1-benzyl-5-methylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid?
The InChIKey is ANSFOZVCGJONFK-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-13-16(10-19-21(13)11-14-5-3-2-4-6-14)18(24)20-7-8-25-15(12-20)9-17(22)23/h2-6,10,15H,7-9,11-12H2,1H3,(H,22,23)/t15-/m0/s1.
What are the key properties of 2-[(2S)-4-(1-benzyl-5-methylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid?
2-[(2S)-4-(1-benzyl-5-methylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid has a molecular weight of 343.38 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-(1-benzyl-5-methylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 124697770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).