4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-3-carboxylic acid

C14H18N4O2 — CID 114537300

IUPAC4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-3-carboxylic acid
SMILESCc1cc(C)n(CCCNc2ccncc2C(=O)O)n1
InChIInChI=1S/C14H18N4O2/c1-10-8-11(2)18(17-10)7-3-5-16-13-4-6-15-9-12(13)14(19)20/h4,6,8-9H,3,5,7H2,1-2H3,(H,15,16)(H,19,20)
InChIKeyAGHJOBYTUSZFOC-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.10
Rot. Bonds6

About 4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-3-carboxylic acid

4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-3-carboxylic acid (PubChem CID 114537300) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-3-carboxylic acid
PubChem CID114537300
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-3-carboxylic acid
SMILESCc1cc(C)n(CCCNc2ccncc2C(=O)O)n1
InChIInChI=1S/C14H18N4O2/c1-10-8-11(2)18(17-10)7-3-5-16-13-4-6-15-9-12(13)14(19)20/h4,6,8-9H,3,5,7H2,1-2H3,(H,15,16)(H,19,20)
InChIKeyAGHJOBYTUSZFOC-UHFFFAOYSA-N
XLogP2.10
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-3-(pyridin-4-yl)-1H-pyrazole-4-carboxylic acid
CID 976454
1-phenyl-3-(pyridin-3-yl)-1H-pyrazole-4-carboxylic acid
CID 752171
4-Aminonicotinic acid
CID 319979
Pyrazolo(1,5-a)pyridine-3-carboxylic acid
CID 2795462
1-benzyl-3-(pyridin-3-yl)-1H-pyrazole-4-carboxylic acid
CID 2497643
3-(1H-pyrazol-5-ylmethylamino)pyridine-4-carboxylic acid
CID 127030808
1-phenyl-5-pyridin-4-yl-1H-pyrazole-4-carboxylic acid
CID 20855127
5-(1H-1,2,3-triazol-1-yl)pyridine-3-carboxylic acid
CID 84662425
4-(2,2-Dimethylpropanamido)pyridine-3-carboxylic acid
CID 2779729
6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine-3-carboxylic acid
CID 16792904
5-methyl-1-(pyridin-4-yl)-1H-pyrazole-4-carboxylic acid
CID 22267819
3-[(1-Phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)amino]benzoic acid
CID 2423896

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-3-carboxylic acid?
The IUPAC name of 4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-3-carboxylic acid (CID 114537300) is 4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-3-carboxylic acid is Cc1cc(C)n(CCCNc2ccncc2C(=O)O)n1.
What is the InChIKey of 4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-3-carboxylic acid?
The InChIKey is AGHJOBYTUSZFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-8-11(2)18(17-10)7-3-5-16-13-4-6-15-9-12(13)14(19)20/h4,6,8-9H,3,5,7H2,1-2H3,(H,15,16)(H,19,20).
What are the key properties of 4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-3-carboxylic acid?
4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-3-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 114537300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).