6-[(5-amino-1H-pyrazole-4-carbonyl)amino]hexanoic acid

C10H16N4O3 — CID 110484163

IUPAC6-[(5-amino-1H-pyrazole-4-carbonyl)amino]hexanoic acid
SMILESNc1[nH]ncc1C(=O)NCCCCCC(=O)O
InChIInChI=1S/C10H16N4O3/c11-9-7(6-13-14-9)10(17)12-5-3-1-2-4-8(15)16/h6H,1-5H2,(H,12,17)(H,15,16)(H3,11,13,14)
InChIKeyWWQMMCLXUXXHOP-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.37
Rot. Bonds7

About 6-[(5-amino-1H-pyrazole-4-carbonyl)amino]hexanoic acid

6-[(5-amino-1H-pyrazole-4-carbonyl)amino]hexanoic acid (PubChem CID 110484163) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 6-[(5-amino-1H-pyrazole-4-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(5-amino-1H-pyrazole-4-carbonyl)amino]hexanoic acid
PubChem CID110484163
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name6-[(5-amino-1H-pyrazole-4-carbonyl)amino]hexanoic acid
SMILESNc1[nH]ncc1C(=O)NCCCCCC(=O)O
InChIInChI=1S/C10H16N4O3/c11-9-7(6-13-14-9)10(17)12-5-3-1-2-4-8(15)16/h6H,1-5H2,(H,12,17)(H,15,16)(H3,11,13,14)
InChIKeyWWQMMCLXUXXHOP-UHFFFAOYSA-N
XLogP0.37
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2-aminoethyl)-1H-pyrazole-4-carboxamide
CID 110484096
5-amino-N-(2-chloroethyl)-1H-pyrazole-4-carboxamide
CID 123588221
5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-1H-pyrazole-4-carboxamide
CID 79400745
7-[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]amino]heptanoic acid
CID 119227287
7-[(5-methyl-1H-indazole-7-carbonyl)amino]heptanoic acid
CID 119227464
5-amino-N-(2-cyclopentylethyl)-1H-pyrazole-4-carboxamide
CID 60920304
5-amino-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-4-carboxamide
CID 106432190
5-amino-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-4-carboxamide
CID 43159436
5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-carboxamide
CID 61168270
5-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrazole-4-carboxamide
CID 79351042
5-amino-N-(2-cyclohexylethyl)-1H-pyrazole-4-carboxamide
CID 54932334
5-amino-N-(2-prop-2-ynylsulfanylethyl)-1H-pyrazole-4-carboxamide
CID 106432187

Frequently Asked Questions

What is the IUPAC name of 6-[(5-amino-1H-pyrazole-4-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(5-amino-1H-pyrazole-4-carbonyl)amino]hexanoic acid (CID 110484163) is 6-[(5-amino-1H-pyrazole-4-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(5-amino-1H-pyrazole-4-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(5-amino-1H-pyrazole-4-carbonyl)amino]hexanoic acid is Nc1[nH]ncc1C(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-[(5-amino-1H-pyrazole-4-carbonyl)amino]hexanoic acid?
The InChIKey is WWQMMCLXUXXHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c11-9-7(6-13-14-9)10(17)12-5-3-1-2-4-8(15)16/h6H,1-5H2,(H,12,17)(H,15,16)(H3,11,13,14).
What are the key properties of 6-[(5-amino-1H-pyrazole-4-carbonyl)amino]hexanoic acid?
6-[(5-amino-1H-pyrazole-4-carbonyl)amino]hexanoic acid has a molecular weight of 240.26 g/mol, XLogP of 0.37, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-amino-1H-pyrazole-4-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 110484163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).