2-(4-methylpyrazol-1-yl)-6-propylpyridine-4-carboxylic acid

C13H15N3O2 — CID 113379579

IUPAC2-(4-methylpyrazol-1-yl)-6-propylpyridine-4-carboxylic acid
SMILESCCCc1cc(C(=O)O)cc(-n2cc(C)cn2)n1
InChIInChI=1S/C13H15N3O2/c1-3-4-11-5-10(13(17)18)6-12(15-11)16-8-9(2)7-14-16/h5-8H,3-4H2,1-2H3,(H,17,18)
InChIKeyVZHQFFGRMTXQBS-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.23
Rot. Bonds4

About 2-(4-methylpyrazol-1-yl)-6-propylpyridine-4-carboxylic acid

2-(4-methylpyrazol-1-yl)-6-propylpyridine-4-carboxylic acid (PubChem CID 113379579) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(4-methylpyrazol-1-yl)-6-propylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-methylpyrazol-1-yl)-6-propylpyridine-4-carboxylic acid
PubChem CID113379579
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-(4-methylpyrazol-1-yl)-6-propylpyridine-4-carboxylic acid
SMILESCCCc1cc(C(=O)O)cc(-n2cc(C)cn2)n1
InChIInChI=1S/C13H15N3O2/c1-3-4-11-5-10(13(17)18)6-12(15-11)16-8-9(2)7-14-16/h5-8H,3-4H2,1-2H3,(H,17,18)
InChIKeyVZHQFFGRMTXQBS-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxypiperidin-1-yl)-6-propylpyridine-4-carboxylic acid
CID 113380086
2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propylpyridine-4-carboxylic acid
CID 114172366
2-[2-(hydroxymethyl)azepan-1-yl]-6-propylpyridine-4-carboxylic acid
CID 116635077
2-(1-methylpyrazol-4-yl)oxy-6-propylpyridine-4-carboxylic acid
CID 116792579
2-(1-methylpyrazol-4-yl)sulfanyl-6-propylpyridine-4-carboxylic acid
CID 113380392
2-(4-methylpyrazol-1-yl)quinoline-4-carboxylic acid
CID 60874419
cobalt(2+);bis(4-methyl-2,6-bis(4-methylpyrazol-1-yl)pyridine)
CID 140695209
2,6-bis(4-oct-1-ynylpyrazol-1-yl)pyridine-4-carboxylic acid
CID 57381608
2-propyl-6-(1-propylpyrazol-4-yl)oxypyridine-4-carboxylic acid
CID 116800823
6-(4-methylpyrazol-1-yl)pyridine-2-carboxylic acid
CID 62254263
2-(3-methoxy-3-methylpiperidin-1-yl)-6-propylpyridine-4-carboxylic acid
CID 107392992
2-[2-hydroxyethyl(propyl)amino]-6-propylpyridine-4-carboxylic acid
CID 113380186

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrazol-1-yl)-6-propylpyridine-4-carboxylic acid?
The IUPAC name of 2-(4-methylpyrazol-1-yl)-6-propylpyridine-4-carboxylic acid (CID 113379579) is 2-(4-methylpyrazol-1-yl)-6-propylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-(4-methylpyrazol-1-yl)-6-propylpyridine-4-carboxylic acid?
The canonical SMILES for 2-(4-methylpyrazol-1-yl)-6-propylpyridine-4-carboxylic acid is CCCc1cc(C(=O)O)cc(-n2cc(C)cn2)n1.
What is the InChIKey of 2-(4-methylpyrazol-1-yl)-6-propylpyridine-4-carboxylic acid?
The InChIKey is VZHQFFGRMTXQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-3-4-11-5-10(13(17)18)6-12(15-11)16-8-9(2)7-14-16/h5-8H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 2-(4-methylpyrazol-1-yl)-6-propylpyridine-4-carboxylic acid?
2-(4-methylpyrazol-1-yl)-6-propylpyridine-4-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyrazol-1-yl)-6-propylpyridine-4-carboxylic acid is sourced from PubChem (CID 113379579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).