2-[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid

C16H18N4O5 — CID 119189809

IUPAC2-[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1
InChIInChI=1S/C16H18N4O5/c1-25-8-7-19(10-14(21)22)16(24)12-9-13(15(17)23)20(18-12)11-5-3-2-4-6-11/h2-6,9H,7-8,10H2,1H3,(H2,17,23)(H,21,22)
InChIKeyFSYOCXSDXQJSHY-UHFFFAOYSA-N
MW346.34 g/mol
LogP0.14
Rot. Bonds8

About 2-[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid

2-[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid (PubChem CID 119189809) has the molecular formula C16H18N4O5 and a molecular weight of 346.34 g/mol. Its IUPAC name is 2-[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid
PubChem CID119189809
Molecular FormulaC16H18N4O5
Molecular Weight346.34 g/mol
Exact Mass346.13
IUPAC Name2-[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1
InChIInChI=1S/C16H18N4O5/c1-25-8-7-19(10-14(21)22)16(24)12-9-13(15(17)23)20(18-12)11-5-3-2-4-6-11/h2-6,9H,7-8,10H2,1H3,(H2,17,23)(H,21,22)
InChIKeyFSYOCXSDXQJSHY-UHFFFAOYSA-N
XLogP0.14
TPSA127.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]-(2-methoxyethyl)amino]acetic acid
CID 119189144
2-[2-methoxyethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid
CID 119189506
2-[[1-(3-bromophenyl)pyrazole-3-carbonyl]-(2-methoxyethyl)amino]acetic acid
CID 119189688
2-[2-methoxyethyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid
CID 119189710
3-N-(2-amino-2-methylpropyl)-1-phenylpyrazole-3,5-dicarboxamide
CID 119628077
1-phenyl-3-N-[(2R)-2-phenylpropyl]pyrazole-3,5-dicarboxamide
CID 95327410
2-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]acetic acid
CID 63023024
3-N-(3-amino-4-methylpentyl)-3-N-methyl-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride
CID 119659251
3-N-[3-(methylamino)propyl]-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride
CID 119431722
2-[[3-[ethyl(methyl)carbamoyl]benzoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189296
2-[[4-(2-amino-2-oxoethoxy)benzoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189503
2-[(4-acetylbenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 119188945

Frequently Asked Questions

What is the IUPAC name of 2-[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid (CID 119189809) is 2-[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1.
What is the InChIKey of 2-[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The InChIKey is FSYOCXSDXQJSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O5/c1-25-8-7-19(10-14(21)22)16(24)12-9-13(15(17)23)20(18-12)11-5-3-2-4-6-11/h2-6,9H,7-8,10H2,1H3,(H2,17,23)(H,21,22).
What are the key properties of 2-[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid?
2-[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid has a molecular weight of 346.34 g/mol, XLogP of 0.14, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 119189809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).