5-formamido-2-(1H-pyrazol-5-yl)pentanoic acid

C9H13N3O3 — CID 129204705

IUPAC5-formamido-2-(1H-pyrazol-5-yl)pentanoic acid
SMILESO=CNCCCC(C(=O)O)c1ccn[nH]1
InChIInChI=1S/C9H13N3O3/c13-6-10-4-1-2-7(9(14)15)8-3-5-11-12-8/h3,5-7H,1-2,4H2,(H,10,13)(H,11,12)(H,14,15)
InChIKeyISBKUMJMFUPDBO-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.10
Rot. Bonds7

About 5-formamido-2-(1H-pyrazol-5-yl)pentanoic acid

5-formamido-2-(1H-pyrazol-5-yl)pentanoic acid (PubChem CID 129204705) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 5-formamido-2-(1H-pyrazol-5-yl)pentanoic acid.

Molecular Properties

Compound Name5-formamido-2-(1H-pyrazol-5-yl)pentanoic acid
PubChem CID129204705
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name5-formamido-2-(1H-pyrazol-5-yl)pentanoic acid
SMILESO=CNCCCC(C(=O)O)c1ccn[nH]1
InChIInChI=1S/C9H13N3O3/c13-6-10-4-1-2-7(9(14)15)8-3-5-11-12-8/h3,5-7H,1-2,4H2,(H,10,13)(H,11,12)(H,14,15)
InChIKeyISBKUMJMFUPDBO-UHFFFAOYSA-N
XLogP0.10
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-[1-(1H-pyrazol-5-yl)ethylamino]pentan-1-ol
CID 106157473
2,3-bis(1H-pyrazol-5-yloxy)butanedioic acid
CID 174804898
ethyl 2-(1H-pyrazol-5-yl)butanoate
CID 176656785
3,3-dimethyl-2-(1H-pyrazol-5-yl)butanoic acid
CID 155943302
2-(1H-pyrazol-5-yl)-2-(pyrrolidin-3-ylamino)acetic acid
CID 82394882
1,1-dimethyl-3-[2-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]urea
CID 83116402
2-phenyl-3-(1H-pyrazole-5-carbonylamino)propanoic acid
CID 55128680
1-methoxy-4-[1-(1H-pyrazol-5-yl)ethylamino]butan-2-ol
CID 106244935
1-[(1S)-2-amino-1-(1H-pyrazol-5-yl)ethyl]cyclobutane-1-carboxylic acid
CID 125452194
N-(3-formamidopropyl)-2H-triazole-4-carboxamide
CID 110475421
N-(3-formamidopropyl)-1H-indazole-4-carboxamide
CID 110468696
5-tridecan-7-yl-1H-pyrazole
CID 126625738

Frequently Asked Questions

What is the IUPAC name of 5-formamido-2-(1H-pyrazol-5-yl)pentanoic acid?
The IUPAC name of 5-formamido-2-(1H-pyrazol-5-yl)pentanoic acid (CID 129204705) is 5-formamido-2-(1H-pyrazol-5-yl)pentanoic acid.
What is the SMILES notation for 5-formamido-2-(1H-pyrazol-5-yl)pentanoic acid?
The canonical SMILES for 5-formamido-2-(1H-pyrazol-5-yl)pentanoic acid is O=CNCCCC(C(=O)O)c1ccn[nH]1.
What is the InChIKey of 5-formamido-2-(1H-pyrazol-5-yl)pentanoic acid?
The InChIKey is ISBKUMJMFUPDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c13-6-10-4-1-2-7(9(14)15)8-3-5-11-12-8/h3,5-7H,1-2,4H2,(H,10,13)(H,11,12)(H,14,15).
What are the key properties of 5-formamido-2-(1H-pyrazol-5-yl)pentanoic acid?
5-formamido-2-(1H-pyrazol-5-yl)pentanoic acid has a molecular weight of 211.22 g/mol, XLogP of 0.10, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formamido-2-(1H-pyrazol-5-yl)pentanoic acid is sourced from PubChem (CID 129204705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).