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

C12H13N3O2 — CID 66474868

IUPAC3-(1-propylpyrazol-4-yl)pyridine-4-carboxylic acid
SMILESCCCn1cc(-c2cnccc2C(=O)O)cn1
InChIInChI=1S/C12H13N3O2/c1-2-5-15-8-9(6-14-15)11-7-13-4-3-10(11)12(16)17/h3-4,6-8H,2,5H2,1H3,(H,16,17)
InChIKeyNOMJTQXGJXIPSI-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.05
Rot. Bonds4

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

3-(1-propylpyrazol-4-yl)pyridine-4-carboxylic acid (PubChem CID 66474868) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-(1-propylpyrazol-4-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(1-propylpyrazol-4-yl)pyridine-4-carboxylic acid
PubChem CID66474868
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name3-(1-propylpyrazol-4-yl)pyridine-4-carboxylic acid
SMILESCCCn1cc(-c2cnccc2C(=O)O)cn1
InChIInChI=1S/C12H13N3O2/c1-2-5-15-8-9(6-14-15)11-7-13-4-3-10(11)12(16)17/h3-4,6-8H,2,5H2,1H3,(H,16,17)
InChIKeyNOMJTQXGJXIPSI-UHFFFAOYSA-N
XLogP2.05
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-6-(1-propylpyrazol-4-yl)benzoic acid
CID 114560299
3-(1-butylpyrazol-4-yl)-2-methylbenzoic acid
CID 171362105
3-(4-carboxy-3-pyridinyl)pyridine-4-carboxylic acid
CID 91435588
3-(4-methylphenyl)pyridine-4-carboxylic acid
CID 19865918
3-pyrimidin-5-ylpyridine-4-carboxylic acid
CID 66475076
3-(1-ethylpyrazol-4-yl)-2-fluorobenzoic acid
CID 107957133
1-propyl-3-pyridin-3-ylpyrazole-4-carboxylic acid
CID 61266867
3-[4-[(5-propan-2-yl-2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]pyridine-4-carboxylic acid
CID 18700517
5-fluoro-2-(1-propylpyrazol-4-yl)phenol
CID 83130519
2-chloro-4-(1-propylpyrazol-4-yl)oxybenzoic acid
CID 116803992
3-(4-methylsulfonylphenyl)pyridine-4-carboxylic acid
CID 53224225
4-(1-propylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 90697312

Frequently Asked Questions

What is the IUPAC name of 3-(1-propylpyrazol-4-yl)pyridine-4-carboxylic acid?
The IUPAC name of 3-(1-propylpyrazol-4-yl)pyridine-4-carboxylic acid (CID 66474868) is 3-(1-propylpyrazol-4-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(1-propylpyrazol-4-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(1-propylpyrazol-4-yl)pyridine-4-carboxylic acid is CCCn1cc(-c2cnccc2C(=O)O)cn1.
What is the InChIKey of 3-(1-propylpyrazol-4-yl)pyridine-4-carboxylic acid?
The InChIKey is NOMJTQXGJXIPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-2-5-15-8-9(6-14-15)11-7-13-4-3-10(11)12(16)17/h3-4,6-8H,2,5H2,1H3,(H,16,17).
What are the key properties of 3-(1-propylpyrazol-4-yl)pyridine-4-carboxylic acid?
3-(1-propylpyrazol-4-yl)pyridine-4-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propylpyrazol-4-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 66474868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).