2-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]-(2-methoxyethyl)amino]acetic acid

C15H16ClN3O4 — CID 119189144

IUPAC2-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1ccn(-c2cccc(Cl)c2)n1
InChIInChI=1S/C15H16ClN3O4/c1-23-8-7-18(10-14(20)21)15(22)13-5-6-19(17-13)12-4-2-3-11(16)9-12/h2-6,9H,7-8,10H2,1H3,(H,20,21)
InChIKeyWHBJPTBPYRGNJC-UHFFFAOYSA-N
MW337.76 g/mol
LogP1.70
Rot. Bonds7

About 2-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]-(2-methoxyethyl)amino]acetic acid

2-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]-(2-methoxyethyl)amino]acetic acid (PubChem CID 119189144) has the molecular formula C15H16ClN3O4 and a molecular weight of 337.76 g/mol. Its IUPAC name is 2-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]-(2-methoxyethyl)amino]acetic acid
PubChem CID119189144
Molecular FormulaC15H16ClN3O4
Molecular Weight337.76 g/mol
Exact Mass337.08
IUPAC Name2-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1ccn(-c2cccc(Cl)c2)n1
InChIInChI=1S/C15H16ClN3O4/c1-23-8-7-18(10-14(20)21)15(22)13-5-6-19(17-13)12-4-2-3-11(16)9-12/h2-6,9H,7-8,10H2,1H3,(H,20,21)
InChIKeyWHBJPTBPYRGNJC-UHFFFAOYSA-N
XLogP1.70
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.76
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-(3-bromophenyl)pyrazole-3-carbonyl]-(2-methoxyethyl)amino]acetic acid
CID 119189688
2-[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 119189809
2-[[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid
CID 119189802
N-(2-anilino-2-oxoethyl)-1-(3-chlorophenyl)-N-methylpyrazole-3-carboxamide
CID 51122600
2-[2-methoxyethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid
CID 119189506
1-(3-chlorophenyl)-N-cyclopropyl-N-(4-methylcyclohexyl)pyrazole-3-carboxamide
CID 55924760
2-[2-methoxyethyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid
CID 119189710
benzyl 1-(3-chlorophenyl)pyrazole-3-carboxylate
CID 60546555
2-[[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid
CID 119348120
methyl 3-[ethyl-(1-phenylpyrazole-3-carbonyl)amino]propanoate
CID 60520905
2-[[2-(3-chlorophenyl)cyclopropanecarbonyl]-(2-methoxyethyl)amino]acetic acid
CID 119189714
1-(3-chlorophenyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 55929884

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]-(2-methoxyethyl)amino]acetic acid (CID 119189144) is 2-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)c1ccn(-c2cccc(Cl)c2)n1.
What is the InChIKey of 2-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]-(2-methoxyethyl)amino]acetic acid?
The InChIKey is WHBJPTBPYRGNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O4/c1-23-8-7-18(10-14(20)21)15(22)13-5-6-19(17-13)12-4-2-3-11(16)9-12/h2-6,9H,7-8,10H2,1H3,(H,20,21).
What are the key properties of 2-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]-(2-methoxyethyl)amino]acetic acid?
2-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]-(2-methoxyethyl)amino]acetic acid has a molecular weight of 337.76 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 119189144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).