5-chloro-2-pyridin-3-yl-1,5-dihydropyrazole-3-carboxylic acid

C9H8ClN3O2 — CID 141443293

IUPAC5-chloro-2-pyridin-3-yl-1,5-dihydropyrazole-3-carboxylic acid
SMILESO=C(O)C1=CC(Cl)NN1c1cccnc1
InChIInChI=1S/C9H8ClN3O2/c10-8-4-7(9(14)15)13(12-8)6-2-1-3-11-5-6/h1-5,8,12H,(H,14,15)
InChIKeyLUBQOZCYNZPBSL-UHFFFAOYSA-N
MW225.64 g/mol
LogP0.94
Rot. Bonds2

About 5-chloro-2-pyridin-3-yl-1,5-dihydropyrazole-3-carboxylic acid

5-chloro-2-pyridin-3-yl-1,5-dihydropyrazole-3-carboxylic acid (PubChem CID 141443293) has the molecular formula C9H8ClN3O2 and a molecular weight of 225.64 g/mol. Its IUPAC name is 5-chloro-2-pyridin-3-yl-1,5-dihydropyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-pyridin-3-yl-1,5-dihydropyrazole-3-carboxylic acid
PubChem CID141443293
Molecular FormulaC9H8ClN3O2
Molecular Weight225.64 g/mol
Exact Mass225.03
IUPAC Name5-chloro-2-pyridin-3-yl-1,5-dihydropyrazole-3-carboxylic acid
SMILESO=C(O)C1=CC(Cl)NN1c1cccnc1
InChIInChI=1S/C9H8ClN3O2/c10-8-4-7(9(14)15)13(12-8)6-2-1-3-11-5-6/h1-5,8,12H,(H,14,15)
InChIKeyLUBQOZCYNZPBSL-UHFFFAOYSA-N
XLogP0.94
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.64
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

CID 697042
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CID 25022117
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CID 10511836
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CID 308428
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CID 413037
CID 413037
CID 129791275
CID 129791275
CID 1554036
CID 1554036
CID 21815183
CID 21815183
CID 67215559
CID 67215559
CID 67362124
CID 67362124
CID 67916525
CID 67916525
CID 68681857
CID 68681857

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-pyridin-3-yl-1,5-dihydropyrazole-3-carboxylic acid?
The IUPAC name of 5-chloro-2-pyridin-3-yl-1,5-dihydropyrazole-3-carboxylic acid (CID 141443293) is 5-chloro-2-pyridin-3-yl-1,5-dihydropyrazole-3-carboxylic acid.
What is the SMILES notation for 5-chloro-2-pyridin-3-yl-1,5-dihydropyrazole-3-carboxylic acid?
The canonical SMILES for 5-chloro-2-pyridin-3-yl-1,5-dihydropyrazole-3-carboxylic acid is O=C(O)C1=CC(Cl)NN1c1cccnc1.
What is the InChIKey of 5-chloro-2-pyridin-3-yl-1,5-dihydropyrazole-3-carboxylic acid?
The InChIKey is LUBQOZCYNZPBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O2/c10-8-4-7(9(14)15)13(12-8)6-2-1-3-11-5-6/h1-5,8,12H,(H,14,15).
What are the key properties of 5-chloro-2-pyridin-3-yl-1,5-dihydropyrazole-3-carboxylic acid?
5-chloro-2-pyridin-3-yl-1,5-dihydropyrazole-3-carboxylic acid has a molecular weight of 225.64 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-pyridin-3-yl-1,5-dihydropyrazole-3-carboxylic acid is sourced from PubChem (CID 141443293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).