5-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid

C10H14N4O5 — CID 62033038

IUPAC5-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)Cn1ccc([N+](=O)[O-])n1
InChIInChI=1S/C10H14N4O5/c15-9(11-5-2-1-3-10(16)17)7-13-6-4-8(12-13)14(18)19/h4,6H,1-3,5,7H2,(H,11,15)(H,16,17)
InChIKeyFSHUHTFHGPEPHU-UHFFFAOYSA-N
MW270.24 g/mol
LogP0.16
Rot. Bonds8

About 5-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid

5-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid (PubChem CID 62033038) has the molecular formula C10H14N4O5 and a molecular weight of 270.24 g/mol. Its IUPAC name is 5-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid
PubChem CID62033038
Molecular FormulaC10H14N4O5
Molecular Weight270.24 g/mol
Exact Mass270.10
IUPAC Name5-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)Cn1ccc([N+](=O)[O-])n1
InChIInChI=1S/C10H14N4O5/c15-9(11-5-2-1-3-10(16)17)7-13-6-4-8(12-13)14(18)19/h4,6H,1-3,5,7H2,(H,11,15)(H,16,17)
InChIKeyFSHUHTFHGPEPHU-UHFFFAOYSA-N
XLogP0.16
TPSA127.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)propyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 19521579
N-(3-methoxypropyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 19521736
3-hydroxy-3-methyl-4-[[2-(3-nitropyrazol-1-yl)acetyl]amino]butanoic acid
CID 66003089
N-benzyl-2-(3-nitropyrazol-1-yl)acetamide
CID 841686
2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanedioic acid
CID 62112095
N-(3-aminobutyl)-2-(3-nitropyrazol-1-yl)acetamide;hydrochloride
CID 119495111
N-[2-(2-methylprop-2-enoxy)ethyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 115700396
N-cyclopropyl-2-(3-nitropyrazol-1-yl)acetamide
CID 19521509
N-(2-ethyl-2-hydroxybutyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 65114080
N-(2-hydroxy-3-methylbutyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 115744501
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 47061410
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-(3-nitropyrazol-1-yl)propanamide
CID 19565980

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid?
The IUPAC name of 5-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid (CID 62033038) is 5-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 5-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for 5-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid is O=C(O)CCCCNC(=O)Cn1ccc([N+](=O)[O-])n1.
What is the InChIKey of 5-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid?
The InChIKey is FSHUHTFHGPEPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O5/c15-9(11-5-2-1-3-10(16)17)7-13-6-4-8(12-13)14(18)19/h4,6H,1-3,5,7H2,(H,11,15)(H,16,17).
What are the key properties of 5-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid?
5-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid has a molecular weight of 270.24 g/mol, XLogP of 0.16, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 62033038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).