2-[3-[[4-(2-methoxyethoxy)benzoyl]amino]pyrazol-1-yl]acetic acid

C15H17N3O5 — CID 119231069

IUPAC2-[3-[[4-(2-methoxyethoxy)benzoyl]amino]pyrazol-1-yl]acetic acid
SMILESCOCCOc1ccc(C(=O)Nc2ccn(CC(=O)O)n2)cc1
InChIInChI=1S/C15H17N3O5/c1-22-8-9-23-12-4-2-11(3-5-12)15(21)16-13-6-7-18(17-13)10-14(19)20/h2-7H,8-10H2,1H3,(H,19,20)(H,16,17,21)
InChIKeyYXMNQYRXXJCKNN-UHFFFAOYSA-N
MW319.32 g/mol
LogP1.25
Rot. Bonds8

About 2-[3-[[4-(2-methoxyethoxy)benzoyl]amino]pyrazol-1-yl]acetic acid

2-[3-[[4-(2-methoxyethoxy)benzoyl]amino]pyrazol-1-yl]acetic acid (PubChem CID 119231069) has the molecular formula C15H17N3O5 and a molecular weight of 319.32 g/mol. Its IUPAC name is 2-[3-[[4-(2-methoxyethoxy)benzoyl]amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[[4-(2-methoxyethoxy)benzoyl]amino]pyrazol-1-yl]acetic acid
PubChem CID119231069
Molecular FormulaC15H17N3O5
Molecular Weight319.32 g/mol
Exact Mass319.12
IUPAC Name2-[3-[[4-(2-methoxyethoxy)benzoyl]amino]pyrazol-1-yl]acetic acid
SMILESCOCCOc1ccc(C(=O)Nc2ccn(CC(=O)O)n2)cc1
InChIInChI=1S/C15H17N3O5/c1-22-8-9-23-12-4-2-11(3-5-12)15(21)16-13-6-7-18(17-13)10-14(19)20/h2-7H,8-10H2,1H3,(H,19,20)(H,16,17,21)
InChIKeyYXMNQYRXXJCKNN-UHFFFAOYSA-N
XLogP1.25
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-[[4-(3,3,3-trifluoropropyl)benzoyl]amino]pyrazol-1-yl]acetic acid
CID 120524741
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
2-[4-[(4-ethoxybenzoyl)amino]triazol-1-yl]acetic acid
CID 112534382
4-ethoxy-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286726
2-[3-[(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 119231121
4-(2-methoxyethoxy)-N-phenylbenzamide
CID 15943269
2-[3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]pyrazol-1-yl]acetic acid
CID 119230457
4-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285013
2-[3-(butanoylamino)pyrazol-1-yl]acetic acid
CID 119230770
2-[3-(1H-indole-5-carbonylamino)pyrazol-1-yl]acetic acid
CID 99599206
2-[3-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 120524735
ethyl 2-[3-[(4-fluorobenzoyl)amino]pyrazol-1-yl]acetate
CID 5303395

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-(2-methoxyethoxy)benzoyl]amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[[4-(2-methoxyethoxy)benzoyl]amino]pyrazol-1-yl]acetic acid (CID 119231069) is 2-[3-[[4-(2-methoxyethoxy)benzoyl]amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[[4-(2-methoxyethoxy)benzoyl]amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[[4-(2-methoxyethoxy)benzoyl]amino]pyrazol-1-yl]acetic acid is COCCOc1ccc(C(=O)Nc2ccn(CC(=O)O)n2)cc1.
What is the InChIKey of 2-[3-[[4-(2-methoxyethoxy)benzoyl]amino]pyrazol-1-yl]acetic acid?
The InChIKey is YXMNQYRXXJCKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5/c1-22-8-9-23-12-4-2-11(3-5-12)15(21)16-13-6-7-18(17-13)10-14(19)20/h2-7H,8-10H2,1H3,(H,19,20)(H,16,17,21).
What are the key properties of 2-[3-[[4-(2-methoxyethoxy)benzoyl]amino]pyrazol-1-yl]acetic acid?
2-[3-[[4-(2-methoxyethoxy)benzoyl]amino]pyrazol-1-yl]acetic acid has a molecular weight of 319.32 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-(2-methoxyethoxy)benzoyl]amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 119231069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).