5-methoxy-2-(1H-pyrazole-4-carbonylamino)pentanoic acid

C10H15N3O4 — CID 81076977

IUPAC5-methoxy-2-(1H-pyrazole-4-carbonylamino)pentanoic acid
SMILESCOCCCC(NC(=O)c1cn[nH]c1)C(=O)O
InChIInChI=1S/C10H15N3O4/c1-17-4-2-3-8(10(15)16)13-9(14)7-5-11-12-6-7/h5-6,8H,2-4H2,1H3,(H,11,12)(H,13,14)(H,15,16)
InChIKeyGPTJVENDKLDXPM-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.02
Rot. Bonds7

About 5-methoxy-2-(1H-pyrazole-4-carbonylamino)pentanoic acid

5-methoxy-2-(1H-pyrazole-4-carbonylamino)pentanoic acid (PubChem CID 81076977) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 5-methoxy-2-(1H-pyrazole-4-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name5-methoxy-2-(1H-pyrazole-4-carbonylamino)pentanoic acid
PubChem CID81076977
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name5-methoxy-2-(1H-pyrazole-4-carbonylamino)pentanoic acid
SMILESCOCCCC(NC(=O)c1cn[nH]c1)C(=O)O
InChIInChI=1S/C10H15N3O4/c1-17-4-2-3-8(10(15)16)13-9(14)7-5-11-12-6-7/h5-6,8H,2-4H2,1H3,(H,11,12)(H,13,14)(H,15,16)
InChIKeyGPTJVENDKLDXPM-UHFFFAOYSA-N
XLogP0.02
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-methoxy-2-(1H-pyrazole-4-carbonylamino)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-2-(1H-pyrazole-4-carbonylamino)butanoic acid
CID 62478251
5-methoxy-2-(pyridine-3-carbonylamino)pentanoic acid
CID 81076986
5-methoxy-2-[(4-methylbenzoyl)amino]pentanoic acid
CID 81077151
2-[(3,5-dimethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81076564
2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-5-methoxypentanoic acid
CID 81077571
5-methoxy-2-[(4-methoxybenzoyl)amino]pentanoic acid
CID 81077484
2-[(4-ethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81077077
5-methoxy-2-[(4-propan-2-ylbenzoyl)amino]pentanoic acid
CID 81085643
5-methoxy-2-(thiadiazole-4-carbonylamino)pentanoic acid
CID 81076497
2-[(3,4-dimethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81077142
2-[(3-hydroxy-4-methylbenzoyl)amino]-5-methoxypentanoic acid
CID 81076917
5-methoxy-2-[(4-nitrobenzoyl)amino]pentanoic acid
CID 81085680

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(1H-pyrazole-4-carbonylamino)pentanoic acid?
The IUPAC name of 5-methoxy-2-(1H-pyrazole-4-carbonylamino)pentanoic acid (CID 81076977) is 5-methoxy-2-(1H-pyrazole-4-carbonylamino)pentanoic acid.
What is the SMILES notation for 5-methoxy-2-(1H-pyrazole-4-carbonylamino)pentanoic acid?
The canonical SMILES for 5-methoxy-2-(1H-pyrazole-4-carbonylamino)pentanoic acid is COCCCC(NC(=O)c1cn[nH]c1)C(=O)O.
What is the InChIKey of 5-methoxy-2-(1H-pyrazole-4-carbonylamino)pentanoic acid?
The InChIKey is GPTJVENDKLDXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-17-4-2-3-8(10(15)16)13-9(14)7-5-11-12-6-7/h5-6,8H,2-4H2,1H3,(H,11,12)(H,13,14)(H,15,16).
What are the key properties of 5-methoxy-2-(1H-pyrazole-4-carbonylamino)pentanoic acid?
5-methoxy-2-(1H-pyrazole-4-carbonylamino)pentanoic acid has a molecular weight of 241.25 g/mol, XLogP of 0.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(1H-pyrazole-4-carbonylamino)pentanoic acid is sourced from PubChem (CID 81076977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).