2-[(2R)-4-(5-methyl-1-phenylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid

C17H19N3O4 — CID 124697804

IUPAC2-[(2R)-4-(5-methyl-1-phenylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
SMILESCc1c(C(=O)N2CCO[C@H](CC(=O)O)C2)cnn1-c1ccccc1
InChIInChI=1S/C17H19N3O4/c1-12-15(10-18-20(12)13-5-3-2-4-6-13)17(23)19-7-8-24-14(11-19)9-16(21)22/h2-6,10,14H,7-9,11H2,1H3,(H,21,22)/t14-/m1/s1
InChIKeyJZWQJQQVGCJAFW-CQSZACIVSA-N
MW329.36 g/mol
LogP1.50
Rot. Bonds4

About 2-[(2R)-4-(5-methyl-1-phenylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid

2-[(2R)-4-(5-methyl-1-phenylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid (PubChem CID 124697804) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-[(2R)-4-(5-methyl-1-phenylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-4-(5-methyl-1-phenylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
PubChem CID124697804
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name2-[(2R)-4-(5-methyl-1-phenylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
SMILESCc1c(C(=O)N2CCO[C@H](CC(=O)O)C2)cnn1-c1ccccc1
InChIInChI=1S/C17H19N3O4/c1-12-15(10-18-20(12)13-5-3-2-4-6-13)17(23)19-7-8-24-14(11-19)9-16(21)22/h2-6,10,14H,7-9,11H2,1H3,(H,21,22)/t14-/m1/s1
InChIKeyJZWQJQQVGCJAFW-CQSZACIVSA-N
XLogP1.50
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-4-(1-benzyl-5-methylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124697770
2-[(2S)-4-(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124698603
2-[(2R)-4-[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]morpholin-2-yl]acetic acid
CID 124684984
2-[(2R)-4-(2-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid
CID 124704985
[(3R)-3-aminopyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 119412099
2-[(2R)-4-[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]morpholin-2-yl]acetic acid
CID 125132186
(5-methyl-1-phenylpyrazol-4-yl)-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124892044
2-[[4-(5-cyclopropyl-1-phenylpyrazole-4-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 120607006
2-[4-(2-methylquinoline-8-carbonyl)morpholin-2-yl]acetic acid
CID 120527700
2-[4-[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]morpholin-2-yl]acetic acid
CID 119248829
2-[4-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]morpholin-2-yl]acetic acid
CID 120527598
3-[4-[(2S)-2-ethylmorpholine-4-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one
CID 39570435

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-(5-methyl-1-phenylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-4-(5-methyl-1-phenylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid (CID 124697804) is 2-[(2R)-4-(5-methyl-1-phenylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-4-(5-methyl-1-phenylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-4-(5-methyl-1-phenylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid is Cc1c(C(=O)N2CCO[C@H](CC(=O)O)C2)cnn1-c1ccccc1.
What is the InChIKey of 2-[(2R)-4-(5-methyl-1-phenylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid?
The InChIKey is JZWQJQQVGCJAFW-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-12-15(10-18-20(12)13-5-3-2-4-6-13)17(23)19-7-8-24-14(11-19)9-16(21)22/h2-6,10,14H,7-9,11H2,1H3,(H,21,22)/t14-/m1/s1.
What are the key properties of 2-[(2R)-4-(5-methyl-1-phenylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid?
2-[(2R)-4-(5-methyl-1-phenylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid has a molecular weight of 329.36 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-(5-methyl-1-phenylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 124697804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).