3-(3-methyl-1-propylpyrazol-4-yl)pyridine-2-carboxylic acid

C13H15N3O2 — CID 107525286

IUPAC3-(3-methyl-1-propylpyrazol-4-yl)pyridine-2-carboxylic acid
SMILESCCCn1cc(-c2cccnc2C(=O)O)c(C)n1
InChIInChI=1S/C13H15N3O2/c1-3-7-16-8-11(9(2)15-16)10-5-4-6-14-12(10)13(17)18/h4-6,8H,3,7H2,1-2H3,(H,17,18)
InChIKeyAHPCLZUTQAOOAZ-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.36
Rot. Bonds4

About 3-(3-methyl-1-propylpyrazol-4-yl)pyridine-2-carboxylic acid

3-(3-methyl-1-propylpyrazol-4-yl)pyridine-2-carboxylic acid (PubChem CID 107525286) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-(3-methyl-1-propylpyrazol-4-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(3-methyl-1-propylpyrazol-4-yl)pyridine-2-carboxylic acid
PubChem CID107525286
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-(3-methyl-1-propylpyrazol-4-yl)pyridine-2-carboxylic acid
SMILESCCCn1cc(-c2cccnc2C(=O)O)c(C)n1
InChIInChI=1S/C13H15N3O2/c1-3-7-16-8-11(9(2)15-16)10-5-4-6-14-12(10)13(17)18/h4-6,8H,3,7H2,1-2H3,(H,17,18)
InChIKeyAHPCLZUTQAOOAZ-UHFFFAOYSA-N
XLogP2.36
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylic acid
CID 107525280
3-[2-(hydroxymethyl)phenyl]pyridine-2-carboxylic acid
CID 53222725
4-iodo-1-propylpyrazole-3-carboxylic acid
CID 122170832
3-(4-methylnaphthalen-1-yl)pyridine-2-carboxylic acid
CID 107525274
3-(2,5-diethylphenyl)pyridine-2-carboxylic acid
CID 107525268
N-[[2-(3-methyl-1-propylpyrazol-4-yl)phenyl]methyl]propan-1-amine
CID 66022687
3-[(1-propylpyrazol-3-yl)carbamoyl]pyrazine-2-carboxylic acid
CID 39341702
3-phenylpyridine-2-carboxylic acid
CID 2762789
2-(3-methyl-1-propylpyrazol-4-yl)propanoic acid
CID 83879852
3-methyl-1-octylpyrazole-4-carboxylic acid
CID 14277915
3-(2-fluoro-5-methylphenyl)pyridine-2-carboxylic acid
CID 53222818
3-(4-ethoxyphenyl)pyridine-2-carboxylic acid
CID 82085089

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1-propylpyrazol-4-yl)pyridine-2-carboxylic acid?
The IUPAC name of 3-(3-methyl-1-propylpyrazol-4-yl)pyridine-2-carboxylic acid (CID 107525286) is 3-(3-methyl-1-propylpyrazol-4-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(3-methyl-1-propylpyrazol-4-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(3-methyl-1-propylpyrazol-4-yl)pyridine-2-carboxylic acid is CCCn1cc(-c2cccnc2C(=O)O)c(C)n1.
What is the InChIKey of 3-(3-methyl-1-propylpyrazol-4-yl)pyridine-2-carboxylic acid?
The InChIKey is AHPCLZUTQAOOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-3-7-16-8-11(9(2)15-16)10-5-4-6-14-12(10)13(17)18/h4-6,8H,3,7H2,1-2H3,(H,17,18).
What are the key properties of 3-(3-methyl-1-propylpyrazol-4-yl)pyridine-2-carboxylic acid?
3-(3-methyl-1-propylpyrazol-4-yl)pyridine-2-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1-propylpyrazol-4-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 107525286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).