1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-oxopyridine-3-carboxylic acid

C14H17N3O3 — CID 114539880

IUPAC1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-oxopyridine-3-carboxylic acid
SMILESCc1cc(C)n(CCCn2cc(C(=O)O)ccc2=O)n1
InChIInChI=1S/C14H17N3O3/c1-10-8-11(2)17(15-10)7-3-6-16-9-12(14(19)20)4-5-13(16)18/h4-5,8-9H,3,6-7H2,1-2H3,(H,19,20)
InChIKeyBTEAOIPKOLHOKN-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.45
Rot. Bonds5

About 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-oxopyridine-3-carboxylic acid

1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-oxopyridine-3-carboxylic acid (PubChem CID 114539880) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-oxopyridine-3-carboxylic acid
PubChem CID114539880
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-oxopyridine-3-carboxylic acid
SMILESCc1cc(C)n(CCCn2cc(C(=O)O)ccc2=O)n1
InChIInChI=1S/C14H17N3O3/c1-10-8-11(2)17(15-10)7-3-6-16-9-12(14(19)20)4-5-13(16)18/h4-5,8-9H,3,6-7H2,1-2H3,(H,19,20)
InChIKeyBTEAOIPKOLHOKN-UHFFFAOYSA-N
XLogP1.45
TPSA77.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzoic acid
CID 114537305
4-bromo-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrrole-2-carboxylic acid
CID 114606969
1-[(2-methyltetrazol-5-yl)methyl]-6-oxopyridine-3-carboxylic acid
CID 107043943
6-oxo-1-(4,4,4-trifluorobutyl)pyridine-3-carboxylic acid
CID 115514358
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
1-[4-(methylamino)-4-oxobutyl]-6-oxopyridine-3-carboxylic acid
CID 63892934
3-chloro-4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzoic acid
CID 114541167
1-[4-(2-methoxyethoxy)butyl]-6-oxopyridine-3-carboxylic acid
CID 113464125
2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-4-carboxylic acid
CID 115576441
2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoylamino]acetic acid
CID 113363032
2-[2-(3,5-dimethylpyrazol-1-yl)ethylselanyl]acetic acid
CID 53360296
6-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxylic acid
CID 30056609

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-oxopyridine-3-carboxylic acid (CID 114539880) is 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-oxopyridine-3-carboxylic acid is Cc1cc(C)n(CCCn2cc(C(=O)O)ccc2=O)n1.
What is the InChIKey of 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-oxopyridine-3-carboxylic acid?
The InChIKey is BTEAOIPKOLHOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-10-8-11(2)17(15-10)7-3-6-16-9-12(14(19)20)4-5-13(16)18/h4-5,8-9H,3,6-7H2,1-2H3,(H,19,20).
What are the key properties of 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-oxopyridine-3-carboxylic acid?
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-oxopyridine-3-carboxylic acid has a molecular weight of 275.31 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 114539880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).