8-[(2-cyclopentylpyrazole-3-carbonyl)amino]octanoic acid

C17H27N3O3 — CID 120535691

IUPAC8-[(2-cyclopentylpyrazole-3-carbonyl)amino]octanoic acid
SMILESO=C(O)CCCCCCCNC(=O)c1ccnn1C1CCCC1
InChIInChI=1S/C17H27N3O3/c21-16(22)10-4-2-1-3-7-12-18-17(23)15-11-13-19-20(15)14-8-5-6-9-14/h11,13-14H,1-10,12H2,(H,18,23)(H,21,22)
InChIKeyACEJADWGJPCRGM-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.15
Rot. Bonds10

About 8-[(2-cyclopentylpyrazole-3-carbonyl)amino]octanoic acid

8-[(2-cyclopentylpyrazole-3-carbonyl)amino]octanoic acid (PubChem CID 120535691) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 8-[(2-cyclopentylpyrazole-3-carbonyl)amino]octanoic acid.

Molecular Properties

Compound Name8-[(2-cyclopentylpyrazole-3-carbonyl)amino]octanoic acid
PubChem CID120535691
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name8-[(2-cyclopentylpyrazole-3-carbonyl)amino]octanoic acid
SMILESO=C(O)CCCCCCCNC(=O)c1ccnn1C1CCCC1
InChIInChI=1S/C17H27N3O3/c21-16(22)10-4-2-1-3-7-12-18-17(23)15-11-13-19-20(15)14-8-5-6-9-14/h11,13-14H,1-10,12H2,(H,18,23)(H,21,22)
InChIKeyACEJADWGJPCRGM-UHFFFAOYSA-N
XLogP3.15
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(2-cyclopentylpyrazole-3-carbonyl)amino]ethyl]benzoic acid
CID 120535538
6-[(1-cyclopropylpyrrole-2-carbonyl)amino]hexanoic acid
CID 43639266
N-benzyl-2-cyclopropylpyrazole-3-carboxamide
CID 83406815
1-[(2-cyclopentylpyrazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 120530593
2-cyclopentyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyrazole-3-carboxamide
CID 136532884
3-[4-[(2-cyclopentylpyrazole-3-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 120541513
2-[(2-cyclopentylpyrazole-3-carbonyl)amino]-2-phenylacetic acid
CID 120518063
7-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]heptanoic acid
CID 119350736
6-(pyridazine-4-carbonylamino)hexanoic acid
CID 112555129
3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 122107208
2-cyclopentyl-N-(2-ethylpyrimidin-5-yl)pyrazole-3-carboxamide
CID 139011643
7-[(1,5-dimethylpyrrole-2-carbonyl)amino]heptanoic acid
CID 28791167

Frequently Asked Questions

What is the IUPAC name of 8-[(2-cyclopentylpyrazole-3-carbonyl)amino]octanoic acid?
The IUPAC name of 8-[(2-cyclopentylpyrazole-3-carbonyl)amino]octanoic acid (CID 120535691) is 8-[(2-cyclopentylpyrazole-3-carbonyl)amino]octanoic acid.
What is the SMILES notation for 8-[(2-cyclopentylpyrazole-3-carbonyl)amino]octanoic acid?
The canonical SMILES for 8-[(2-cyclopentylpyrazole-3-carbonyl)amino]octanoic acid is O=C(O)CCCCCCCNC(=O)c1ccnn1C1CCCC1.
What is the InChIKey of 8-[(2-cyclopentylpyrazole-3-carbonyl)amino]octanoic acid?
The InChIKey is ACEJADWGJPCRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c21-16(22)10-4-2-1-3-7-12-18-17(23)15-11-13-19-20(15)14-8-5-6-9-14/h11,13-14H,1-10,12H2,(H,18,23)(H,21,22).
What are the key properties of 8-[(2-cyclopentylpyrazole-3-carbonyl)amino]octanoic acid?
8-[(2-cyclopentylpyrazole-3-carbonyl)amino]octanoic acid has a molecular weight of 321.42 g/mol, XLogP of 3.15, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-cyclopentylpyrazole-3-carbonyl)amino]octanoic acid is sourced from PubChem (CID 120535691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).