4-[[bis(prop-2-enyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid

C15H17N3O2 — CID 82212435

IUPAC4-[[bis(prop-2-enyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESC=CCN(CC=C)Cc1cccn2ncc(C(=O)O)c12
InChIInChI=1S/C15H17N3O2/c1-3-7-17(8-4-2)11-12-6-5-9-18-14(12)13(10-16-18)15(19)20/h3-6,9-10H,1-2,7-8,11H2,(H,19,20)
InChIKeyKYJSVYOHWJIEOK-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.21
Rot. Bonds7

About 4-[[bis(prop-2-enyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid

4-[[bis(prop-2-enyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 82212435) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-[[bis(prop-2-enyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[[bis(prop-2-enyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
PubChem CID82212435
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-[[bis(prop-2-enyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESC=CCN(CC=C)Cc1cccn2ncc(C(=O)O)c12
InChIInChI=1S/C15H17N3O2/c1-3-7-17(8-4-2)11-12-6-5-9-18-14(12)13(10-16-18)15(19)20/h3-6,9-10H,1-2,7-8,11H2,(H,19,20)
InChIKeyKYJSVYOHWJIEOK-UHFFFAOYSA-N
XLogP2.21
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

FK-352
CID 6442241
2-Pyrazolylbenzoic acid
CID 4738383
1-phenyl-3-(pyridin-4-yl)-1H-pyrazole-4-carboxylic acid
CID 976454
2-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-quinolinecarboxylic acid
CID 6485411
1-phenyl-3-(pyridin-3-yl)-1H-pyrazole-4-carboxylic acid
CID 752171
Indolizine-2-carboxylic acid
CID 595143
4-(1H-pyrazol-1-yl)benzoic acid
CID 736527
1,3-diphenyl-1H-pyrazole-4-carboxylic acid
CID 847409
Pyrazolo(1,5-a)pyridine-3-carboxylic acid
CID 2795462
Ethyl pyrazolo(1,5-a)pyridine-3-carboxylate
CID 2795464
1-benzyl-3-(pyridin-3-yl)-1H-pyrazole-4-carboxylic acid
CID 2497643
1-Cyclohexyl-2-phenylindolizine-6-carboxylic acid
CID 16072892

Frequently Asked Questions

What is the IUPAC name of 4-[[bis(prop-2-enyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of 4-[[bis(prop-2-enyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid (CID 82212435) is 4-[[bis(prop-2-enyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[[bis(prop-2-enyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[[bis(prop-2-enyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid is C=CCN(CC=C)Cc1cccn2ncc(C(=O)O)c12.
What is the InChIKey of 4-[[bis(prop-2-enyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is KYJSVYOHWJIEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-7-17(8-4-2)11-12-6-5-9-18-14(12)13(10-16-18)15(19)20/h3-6,9-10H,1-2,7-8,11H2,(H,19,20).
What are the key properties of 4-[[bis(prop-2-enyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
4-[[bis(prop-2-enyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[bis(prop-2-enyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 82212435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).