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

C13H15N3O3 — CID 116792579

IUPAC2-(1-methylpyrazol-4-yl)oxy-6-propylpyridine-4-carboxylic acid
SMILESCCCc1cc(C(=O)O)cc(Oc2cnn(C)c2)n1
InChIInChI=1S/C13H15N3O3/c1-3-4-10-5-9(13(17)18)6-12(15-10)19-11-7-14-16(2)8-11/h5-8H,3-4H2,1-2H3,(H,17,18)
InChIKeyDVSBLZFGSRUGEQ-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.26
Rot. Bonds5

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

2-(1-methylpyrazol-4-yl)oxy-6-propylpyridine-4-carboxylic acid (PubChem CID 116792579) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)oxy-6-propylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)oxy-6-propylpyridine-4-carboxylic acid
PubChem CID116792579
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-(1-methylpyrazol-4-yl)oxy-6-propylpyridine-4-carboxylic acid
SMILESCCCc1cc(C(=O)O)cc(Oc2cnn(C)c2)n1
InChIInChI=1S/C13H15N3O3/c1-3-4-10-5-9(13(17)18)6-12(15-10)19-11-7-14-16(2)8-11/h5-8H,3-4H2,1-2H3,(H,17,18)
InChIKeyDVSBLZFGSRUGEQ-UHFFFAOYSA-N
XLogP2.26
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(6-Methoxy-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151149
3-[3-(5-methylfuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enoic acid
CID 876610
3-Tert-butyl-1-[(6-phenoxy-3-pyridinyl)methyl]pyrazole-5-carboxylic acid
CID 162643329
US11365192, Example 22-18
CID 156323880
US11365192, Example 71-13
CID 156323926
US11365192, Example 22-15
CID 156323960
2-[1-(2-Phenoxyethyl)triazol-4-yl]pyridine-4-carboxylic acid
CID 122191460
2-Methoxy-5-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
CID 86282029
2-Methoxy-5-[[5-(1-methylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
CID 89654968
US11365192, Example 1-43
CID 137487774
US11365192, Example 25-1
CID 137487830
US11365192, Example 32-1
CID 142526546

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)oxy-6-propylpyridine-4-carboxylic acid?
The IUPAC name of 2-(1-methylpyrazol-4-yl)oxy-6-propylpyridine-4-carboxylic acid (CID 116792579) is 2-(1-methylpyrazol-4-yl)oxy-6-propylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)oxy-6-propylpyridine-4-carboxylic acid?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)oxy-6-propylpyridine-4-carboxylic acid is CCCc1cc(C(=O)O)cc(Oc2cnn(C)c2)n1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)oxy-6-propylpyridine-4-carboxylic acid?
The InChIKey is DVSBLZFGSRUGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-3-4-10-5-9(13(17)18)6-12(15-10)19-11-7-14-16(2)8-11/h5-8H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 2-(1-methylpyrazol-4-yl)oxy-6-propylpyridine-4-carboxylic acid?
2-(1-methylpyrazol-4-yl)oxy-6-propylpyridine-4-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)oxy-6-propylpyridine-4-carboxylic acid is sourced from PubChem (CID 116792579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).