5-oxo-5-(3-pyrazol-1-ylanilino)pentanoic acid

C14H15N3O3 — CID 60940474

IUPAC5-oxo-5-(3-pyrazol-1-ylanilino)pentanoic acid
SMILESO=C(O)CCCC(=O)Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C14H15N3O3/c18-13(6-2-7-14(19)20)16-11-4-1-5-12(10-11)17-9-3-8-15-17/h1,3-5,8-10H,2,6-7H2,(H,16,18)(H,19,20)
InChIKeyIXBSOWRHYHZGIF-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.07
Rot. Bonds6

About 5-oxo-5-(3-pyrazol-1-ylanilino)pentanoic acid

5-oxo-5-(3-pyrazol-1-ylanilino)pentanoic acid (PubChem CID 60940474) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 5-oxo-5-(3-pyrazol-1-ylanilino)pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-(3-pyrazol-1-ylanilino)pentanoic acid
PubChem CID60940474
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name5-oxo-5-(3-pyrazol-1-ylanilino)pentanoic acid
SMILESO=C(O)CCCC(=O)Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C14H15N3O3/c18-13(6-2-7-14(19)20)16-11-4-1-5-12(10-11)17-9-3-8-15-17/h1,3-5,8-10H,2,6-7H2,(H,16,18)(H,19,20)
InChIKeyIXBSOWRHYHZGIF-UHFFFAOYSA-N
XLogP2.07
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-oxo-3-(3-pyrazol-1-ylanilino)propanoic acid
CID 55049356
5-(4-methoxyphenyl)-5-oxo-N-(3-pyrazol-1-ylphenyl)pentanamide
CID 55963096
3-(ethylamino)-N-(3-pyrazol-1-ylphenyl)propanamide
CID 62832323
N-cyclopentyl-N'-(3-pyrazol-1-ylphenyl)butanediamide
CID 131950327
4-[(3-pyrazol-1-ylphenyl)sulfamoyl]butanoic acid
CID 43699767
2-(cyclopropylmethylamino)-N-(3-pyrazol-1-ylphenyl)acetamide
CID 60868167
4-methyl-4-[(3-pyrazol-1-ylphenyl)carbamoylamino]pentanoic acid
CID 122076454
2-(cyclopropylmethylamino)-N-(3-pyrazol-1-ylphenyl)acetamide;hydrochloride
CID 119708752
(E)-N-(3-pyrazol-1-ylphenyl)but-2-enamide
CID 110470249
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3-pyrazol-1-ylphenyl)butanamide
CID 55766144
3-[(2S)-5-oxopyrrolidin-2-yl]-N-(3-pyrazol-1-ylphenyl)propanamide
CID 51600172
3-[(2R)-5-oxopyrrolidin-2-yl]-N-(3-pyrazol-1-ylphenyl)propanamide
CID 51600173

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-(3-pyrazol-1-ylanilino)pentanoic acid?
The IUPAC name of 5-oxo-5-(3-pyrazol-1-ylanilino)pentanoic acid (CID 60940474) is 5-oxo-5-(3-pyrazol-1-ylanilino)pentanoic acid.
What is the SMILES notation for 5-oxo-5-(3-pyrazol-1-ylanilino)pentanoic acid?
The canonical SMILES for 5-oxo-5-(3-pyrazol-1-ylanilino)pentanoic acid is O=C(O)CCCC(=O)Nc1cccc(-n2cccn2)c1.
What is the InChIKey of 5-oxo-5-(3-pyrazol-1-ylanilino)pentanoic acid?
The InChIKey is IXBSOWRHYHZGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-13(6-2-7-14(19)20)16-11-4-1-5-12(10-11)17-9-3-8-15-17/h1,3-5,8-10H,2,6-7H2,(H,16,18)(H,19,20).
What are the key properties of 5-oxo-5-(3-pyrazol-1-ylanilino)pentanoic acid?
5-oxo-5-(3-pyrazol-1-ylanilino)pentanoic acid has a molecular weight of 273.29 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-(3-pyrazol-1-ylanilino)pentanoic acid is sourced from PubChem (CID 60940474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).