2-[2-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]ethoxy]acetic acid

C19H23N3O4 — CID 122108850

IUPAC2-[2-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)c1cnn(C2CCCC2)c1-c1ccccc1
InChIInChI=1S/C19H23N3O4/c23-17(24)13-26-11-10-20-19(25)16-12-21-22(15-8-4-5-9-15)18(16)14-6-2-1-3-7-14/h1-3,6-7,12,15H,4-5,8-11,13H2,(H,20,25)(H,23,24)
InChIKeyPPEOZLSRPLUYDE-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.50
Rot. Bonds8

About 2-[2-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]ethoxy]acetic acid

2-[2-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]ethoxy]acetic acid (PubChem CID 122108850) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[2-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]ethoxy]acetic acid
PubChem CID122108850
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name2-[2-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)c1cnn(C2CCCC2)c1-c1ccccc1
InChIInChI=1S/C19H23N3O4/c23-17(24)13-26-11-10-20-19(25)16-12-21-22(15-8-4-5-9-15)18(16)14-6-2-1-3-7-14/h1-3,6-7,12,15H,4-5,8-11,13H2,(H,20,25)(H,23,24)
InChIKeyPPEOZLSRPLUYDE-UHFFFAOYSA-N
XLogP2.50
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 122107208
2-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]-3-methoxypropanoic acid
CID 122108945
2-[3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]phenyl]acetic acid
CID 122108129
3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoic acid
CID 122107757
(E)-2-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]hex-4-enoic acid
CID 122108687
1-(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)piperidine-4-carboxylic acid
CID 122106902
2-[2-[(4-cyclopentylpiperazine-1-carbonyl)amino]ethoxy]acetic acid
CID 79463898
2-[2-[(3-chloropyridine-4-carbonyl)amino]ethoxy]acetic acid
CID 79456698
2-[2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]ethoxy]acetic acid
CID 79457991
2-[2-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonylamino)ethoxy]acetic acid
CID 82750342
2-[2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]ethoxy]acetic acid
CID 79468883
N-(3-cyclohexyloxypropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46491033

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]ethoxy]acetic acid (CID 122108850) is 2-[2-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]ethoxy]acetic acid is O=C(O)COCCNC(=O)c1cnn(C2CCCC2)c1-c1ccccc1.
What is the InChIKey of 2-[2-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]ethoxy]acetic acid?
The InChIKey is PPEOZLSRPLUYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c23-17(24)13-26-11-10-20-19(25)16-12-21-22(15-8-4-5-9-15)18(16)14-6-2-1-3-7-14/h1-3,6-7,12,15H,4-5,8-11,13H2,(H,20,25)(H,23,24).
What are the key properties of 2-[2-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]ethoxy]acetic acid?
2-[2-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]ethoxy]acetic acid has a molecular weight of 357.41 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]ethoxy]acetic acid is sourced from PubChem (CID 122108850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).