5-amino-4-pyridin-4-ylpyrazolidine-3-carboxylic acid

C9H12N4O2 — CID 164662420

IUPAC5-amino-4-pyridin-4-ylpyrazolidine-3-carboxylic acid
SMILESNC1NNC(C(=O)O)C1c1ccncc1
InChIInChI=1S/C9H12N4O2/c10-8-6(5-1-3-11-4-2-5)7(9(14)15)12-13-8/h1-4,6-8,12-13H,10H2,(H,14,15)
InChIKeyFYOLFFXZANJXJF-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.99
Rot. Bonds2

About 5-amino-4-pyridin-4-ylpyrazolidine-3-carboxylic acid

5-amino-4-pyridin-4-ylpyrazolidine-3-carboxylic acid (PubChem CID 164662420) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 5-amino-4-pyridin-4-ylpyrazolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-4-pyridin-4-ylpyrazolidine-3-carboxylic acid
PubChem CID164662420
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name5-amino-4-pyridin-4-ylpyrazolidine-3-carboxylic acid
SMILESNC1NNC(C(=O)O)C1c1ccncc1
InChIInChI=1S/C9H12N4O2/c10-8-6(5-1-3-11-4-2-5)7(9(14)15)12-13-8/h1-4,6-8,12-13H,10H2,(H,14,15)
InChIKeyFYOLFFXZANJXJF-UHFFFAOYSA-N
XLogP-0.99
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2R,3S,4R,5S,10S,11R,12S,13R)-4,11,12-tripyridin-4-yl-3-pentacyclo[12.2.2.26,9.02,5.010,13]icosa-1(16),6(20),7,9(19),14,17-hexaenyl]pyridine
CID 101374305
trans-(1R,2R)-2-pyridin-4-ylcyclopropane-1-carboxylic acid
CID 39235850
5-[4-(2-pyridin-4-ylethynyl)phenoxy]triazolidine-4-carboxylic acid
CID 166594535
5-pyridin-4-yl-1,2,4-triazolidin-3-amine
CID 170906378
2-oxo-4-pyridin-4-yl-1,3-diazinane-5-carboxylic acid
CID 71650913
(3R,4R)-4-pyridin-4-ylpyrrolidin-3-amine
CID 129493482
5,15-diphenyl-10,20-dipyridin-4-yl-1,2,3,4,5,6,9,10,11,12,13,14,15,16,19,20,21,22,23,24-icosahydroporphyrin
CID 134064307
2-methyl-6-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3,5-dicarboxylic acid
CID 67112836
(2S,4R,6S)-2-methyl-6-pyridin-4-ylpiperidin-4-amine
CID 82656345
(2S)-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxylic acid
CID 70546491
trans-(1S,3S)-2,2-dimethyl-3-(pyridin-4-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 52902154
1-hydroxy-1-[(2-pyridin-4-ylcyclopropyl)methyl]urea
CID 19894152

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-pyridin-4-ylpyrazolidine-3-carboxylic acid?
The IUPAC name of 5-amino-4-pyridin-4-ylpyrazolidine-3-carboxylic acid (CID 164662420) is 5-amino-4-pyridin-4-ylpyrazolidine-3-carboxylic acid.
What is the SMILES notation for 5-amino-4-pyridin-4-ylpyrazolidine-3-carboxylic acid?
The canonical SMILES for 5-amino-4-pyridin-4-ylpyrazolidine-3-carboxylic acid is NC1NNC(C(=O)O)C1c1ccncc1.
What is the InChIKey of 5-amino-4-pyridin-4-ylpyrazolidine-3-carboxylic acid?
The InChIKey is FYOLFFXZANJXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c10-8-6(5-1-3-11-4-2-5)7(9(14)15)12-13-8/h1-4,6-8,12-13H,10H2,(H,14,15).
What are the key properties of 5-amino-4-pyridin-4-ylpyrazolidine-3-carboxylic acid?
5-amino-4-pyridin-4-ylpyrazolidine-3-carboxylic acid has a molecular weight of 208.22 g/mol, XLogP of -0.99, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-pyridin-4-ylpyrazolidine-3-carboxylic acid is sourced from PubChem (CID 164662420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).