3-(pyridin-3-yl)-1H-pyrazole-5-carboxylic acid

C9H7N3O2 — CID 3159715

IUPAC3-pyridin-3-yl-1H-pyrazole-5-carboxylic acid
SMILESC1=CC(=CN=C1)C2=NNC(=C2)C(=O)O
InChIInChI=1S/C9H7N3O2/c13-9(14)8-4-7(11-12-8)6-2-1-3-10-5-6/h1-5H,(H,11,12)(H,13,14)
InChIKeyVZCDZCUPZRFWAW-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.70
Rot. Bonds2

About 3-(pyridin-3-yl)-1H-pyrazole-5-carboxylic acid

3-(pyridin-3-yl)-1H-pyrazole-5-carboxylic acid (PubChem CID 3159715) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is 3-pyridin-3-yl-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(pyridin-3-yl)-1H-pyrazole-5-carboxylic acid
PubChem CID3159715
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name3-pyridin-3-yl-1H-pyrazole-5-carboxylic acid
SMILESC1=CC(=CN=C1)C2=NNC(=C2)C(=O)O
InChIInChI=1S/C9H7N3O2/c13-9(14)8-4-7(11-12-8)6-2-1-3-10-5-6/h1-5H,(H,11,12)(H,13,14)
InChIKeyVZCDZCUPZRFWAW-UHFFFAOYSA-N
XLogP0.70
TPSA78.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity222

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-Pyridinyl)-1H-pyrazole-5-carboxylic acid
CID 665156
3-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazole-5-carboxylic acid
CID 644947
5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazole-3-carboxylic acid
CID 3161119
5-(1H-indol-3-yl)-1H-pyrazole-3-carboxylic acid
CID 3833115
3-[(2E)-2-[(Pyridin-3-YL)methylidene]hydrazin-1-YL]benzoic acid
CID 9670741
5-(2-fluoropyridin-3-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid, hydrochloride
CID 12003791
4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)benzoic acid
CID 45487437
Ethyl 3-(pyridin-2-yl)-1H-pyrazole-5-carboxylate
CID 612416
4-(1H-pyrazol-1-yl)pyridine-2-carboxylic acid
CID 43142902
3-(trimethyl-1H-pyrazol-4-yl)-1H-pyrazole-5-carboxylic acid
CID 3163611
3-(1-ethylindol-3-yl)-1H-pyrazole-5-carboxylic acid
CID 20109894
3-Phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxylic acid
CID 23723321

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-3-yl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(pyridin-3-yl)-1H-pyrazole-5-carboxylic acid (CID 3159715) is 3-pyridin-3-yl-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(pyridin-3-yl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(pyridin-3-yl)-1H-pyrazole-5-carboxylic acid is C1=CC(=CN=C1)C2=NNC(=C2)C(=O)O.
What is the InChIKey of 3-(pyridin-3-yl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is VZCDZCUPZRFWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2/c13-9(14)8-4-7(11-12-8)6-2-1-3-10-5-6/h1-5H,(H,11,12)(H,13,14).
What are the key properties of 3-(pyridin-3-yl)-1H-pyrazole-5-carboxylic acid?
3-(pyridin-3-yl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 189.17 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-3-yl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 3159715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).