6-(4-propan-2-ylpyrazol-1-yl)pyridine-2-carboxylic acid

C12H13N3O2 — CID 84694538

IUPAC6-(4-propan-2-ylpyrazol-1-yl)pyridine-2-carboxylic acid
SMILESCC(C)c1cnn(-c2cccc(C(=O)O)n2)c1
InChIInChI=1S/C12H13N3O2/c1-8(2)9-6-13-15(7-9)11-5-3-4-10(14-11)12(16)17/h3-8H,1-2H3,(H,16,17)
InChIKeyDXOKZGOGOTXJRJ-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.09
Rot. Bonds3

About 6-(4-propan-2-ylpyrazol-1-yl)pyridine-2-carboxylic acid

6-(4-propan-2-ylpyrazol-1-yl)pyridine-2-carboxylic acid (PubChem CID 84694538) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 6-(4-propan-2-ylpyrazol-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-propan-2-ylpyrazol-1-yl)pyridine-2-carboxylic acid
PubChem CID84694538
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name6-(4-propan-2-ylpyrazol-1-yl)pyridine-2-carboxylic acid
SMILESCC(C)c1cnn(-c2cccc(C(=O)O)n2)c1
InChIInChI=1S/C12H13N3O2/c1-8(2)9-6-13-15(7-9)11-5-3-4-10(14-11)12(16)17/h3-8H,1-2H3,(H,16,17)
InChIKeyDXOKZGOGOTXJRJ-UHFFFAOYSA-N
XLogP2.09
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-methylpyrazol-1-yl)pyridine-2-carboxylic acid
CID 62254263
3-(4-propan-2-ylpyrazol-1-yl)benzoic acid
CID 84793615
6-(3-oxo-4-propan-2-ylpiperazin-1-yl)pyridine-2-carboxylic acid
CID 122057509
6-(4-propan-2-ylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 103496539
1-(2,6-dichlorophenyl)-4-propan-2-ylpyrazole
CID 141189690
1-[6-(aminomethyl)-2-pyridinyl]pyrazole-4-carboxylic acid
CID 84785980
6-(4-propan-2-ylphenoxy)pyridine-2-carboxylic acid
CID 62253003
CID 91986542
CID 91986542
3-(4-propan-2-ylpyrazol-1-yl)benzaldehyde
CID 84783446
6-[4-(difluoromethyl)pyrazol-1-yl]-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]pyridine-2-carboxamide
CID 118061205
6-[3-(hydroxymethyl)-3-propan-2-ylpiperidin-1-yl]pyridine-2-carboxylic acid
CID 122057759
6-[3-[[bis[[1-(6-carboxy-2-pyridinyl)pyrazol-3-yl]methyl]amino]methyl]pyrazol-1-yl]pyridine-2-carboxylic acid
CID 102155568

Frequently Asked Questions

What is the IUPAC name of 6-(4-propan-2-ylpyrazol-1-yl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(4-propan-2-ylpyrazol-1-yl)pyridine-2-carboxylic acid (CID 84694538) is 6-(4-propan-2-ylpyrazol-1-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(4-propan-2-ylpyrazol-1-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(4-propan-2-ylpyrazol-1-yl)pyridine-2-carboxylic acid is CC(C)c1cnn(-c2cccc(C(=O)O)n2)c1.
What is the InChIKey of 6-(4-propan-2-ylpyrazol-1-yl)pyridine-2-carboxylic acid?
The InChIKey is DXOKZGOGOTXJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8(2)9-6-13-15(7-9)11-5-3-4-10(14-11)12(16)17/h3-8H,1-2H3,(H,16,17).
What are the key properties of 6-(4-propan-2-ylpyrazol-1-yl)pyridine-2-carboxylic acid?
6-(4-propan-2-ylpyrazol-1-yl)pyridine-2-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-propan-2-ylpyrazol-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 84694538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).