5-(4-chloropyrazol-1-yl)pentanoic acid

C8H11ClN2O2 — CID 61035108

IUPAC5-(4-chloropyrazol-1-yl)pentanoic acid
SMILESO=C(O)CCCCn1cc(Cl)cn1
InChIInChI=1S/C8H11ClN2O2/c9-7-5-10-11(6-7)4-2-1-3-8(12)13/h5-6H,1-4H2,(H,12,13)
InChIKeyWVIFOXUBHFMPEJ-UHFFFAOYSA-N
MW202.64 g/mol
LogP1.79
Rot. Bonds5

About 5-(4-chloropyrazol-1-yl)pentanoic acid

5-(4-chloropyrazol-1-yl)pentanoic acid (PubChem CID 61035108) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 5-(4-chloropyrazol-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(4-chloropyrazol-1-yl)pentanoic acid
PubChem CID61035108
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Name5-(4-chloropyrazol-1-yl)pentanoic acid
SMILESO=C(O)CCCCn1cc(Cl)cn1
InChIInChI=1S/C8H11ClN2O2/c9-7-5-10-11(6-7)4-2-1-3-8(12)13/h5-6H,1-4H2,(H,12,13)
InChIKeyWVIFOXUBHFMPEJ-UHFFFAOYSA-N
XLogP1.79
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 51.79
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

6-(4-chloropyrazol-1-yl)-2,2-dimethylhexanoic acid
CID 106714172
N-[3-(4-chloropyrazol-1-yl)propyl]acetamide
CID 19331985
2-(4-chloropyrazol-1-yl)ethanol
CID 7172186
methyl 3-(4-chloropyrazol-1-yl)propanoate
CID 7017157
3-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide
CID 19283459
2-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]acetamide
CID 19283543
N-butyl-3-(4-chloropyrazol-1-yl)propanamide
CID 19539689
N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropanecarboxamide
CID 19330222
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-(4-chloropyrazol-1-yl)propanamide
CID 19539616
3-(4-chloro-3-methylpyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
CID 19544146
2-[3-(4-chloropyrazol-1-yl)propoxy]benzoic acid
CID 55179546
2-(4-chloropyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
CID 19538607

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloropyrazol-1-yl)pentanoic acid?
The IUPAC name of 5-(4-chloropyrazol-1-yl)pentanoic acid (CID 61035108) is 5-(4-chloropyrazol-1-yl)pentanoic acid.
What is the SMILES notation for 5-(4-chloropyrazol-1-yl)pentanoic acid?
The canonical SMILES for 5-(4-chloropyrazol-1-yl)pentanoic acid is O=C(O)CCCCn1cc(Cl)cn1.
What is the InChIKey of 5-(4-chloropyrazol-1-yl)pentanoic acid?
The InChIKey is WVIFOXUBHFMPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2/c9-7-5-10-11(6-7)4-2-1-3-8(12)13/h5-6H,1-4H2,(H,12,13).
What are the key properties of 5-(4-chloropyrazol-1-yl)pentanoic acid?
5-(4-chloropyrazol-1-yl)pentanoic acid has a molecular weight of 202.64 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloropyrazol-1-yl)pentanoic acid is sourced from PubChem (CID 61035108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).