5-(3,5-diethylpyrazol-1-yl)pentanoic acid

C12H20N2O2 — CID 82693000

IUPAC5-(3,5-diethylpyrazol-1-yl)pentanoic acid
SMILESCCc1cc(CC)n(CCCCC(=O)O)n1
InChIInChI=1S/C12H20N2O2/c1-3-10-9-11(4-2)14(13-10)8-6-5-7-12(15)16/h9H,3-8H2,1-2H3,(H,15,16)
InChIKeyAIOXXHIZEMRGKC-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.26
Rot. Bonds7

About 5-(3,5-diethylpyrazol-1-yl)pentanoic acid

5-(3,5-diethylpyrazol-1-yl)pentanoic acid (PubChem CID 82693000) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 5-(3,5-diethylpyrazol-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(3,5-diethylpyrazol-1-yl)pentanoic acid
PubChem CID82693000
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name5-(3,5-diethylpyrazol-1-yl)pentanoic acid
SMILESCCc1cc(CC)n(CCCCC(=O)O)n1
InChIInChI=1S/C12H20N2O2/c1-3-10-9-11(4-2)14(13-10)8-6-5-7-12(15)16/h9H,3-8H2,1-2H3,(H,15,16)
InChIKeyAIOXXHIZEMRGKC-UHFFFAOYSA-N
XLogP2.26
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3,5-diethylpyrazol-1-yl)-N-methylbutanamide
CID 82699974
3-(3,5-diethylpyrazol-1-yl)propan-1-ol
CID 82694262
3-(3,5-diethylpyrazol-1-yl)-N,N-dimethylpropanamide
CID 82700121
3-(3,5-diethylpyrazol-1-yl)-2-methylpropanoic acid
CID 82693106
2-[4-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]acetic acid
CID 105345519
(E)-4-(3,5-diethylpyrazol-1-yl)but-2-enoic acid
CID 82693468
(E)-4-(3,5-diethylpyrazol-1-yl)-3-methylbut-2-enoic acid
CID 82692446
1-(1,3-diethylpyrazol-5-yl)heptan-2-one
CID 115778877
5-(3,5-diethylpyrazol-1-yl)-2,2-dimethylpentanenitrile
CID 82692715
1-(3-ethyl-1-methylpyrazol-5-yl)-5-hydroxypentan-2-one
CID 106677524
(3-ethyl-1-propylpyrazol-5-yl)methanol
CID 122663118
2-(3-ethyl-5-methylpyrazol-1-yl)acetic acid
CID 83635686

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-diethylpyrazol-1-yl)pentanoic acid?
The IUPAC name of 5-(3,5-diethylpyrazol-1-yl)pentanoic acid (CID 82693000) is 5-(3,5-diethylpyrazol-1-yl)pentanoic acid.
What is the SMILES notation for 5-(3,5-diethylpyrazol-1-yl)pentanoic acid?
The canonical SMILES for 5-(3,5-diethylpyrazol-1-yl)pentanoic acid is CCc1cc(CC)n(CCCCC(=O)O)n1.
What is the InChIKey of 5-(3,5-diethylpyrazol-1-yl)pentanoic acid?
The InChIKey is AIOXXHIZEMRGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-10-9-11(4-2)14(13-10)8-6-5-7-12(15)16/h9H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 5-(3,5-diethylpyrazol-1-yl)pentanoic acid?
5-(3,5-diethylpyrazol-1-yl)pentanoic acid has a molecular weight of 224.30 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-diethylpyrazol-1-yl)pentanoic acid is sourced from PubChem (CID 82693000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).