6-methyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carboxylic acid

C13H15N3O2 — CID 81229099

IUPAC6-methyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carboxylic acid
SMILESCc1cc(-n2ccc(C(C)C)n2)c(C(=O)O)cn1
InChIInChI=1S/C13H15N3O2/c1-8(2)11-4-5-16(15-11)12-6-9(3)14-7-10(12)13(17)18/h4-8H,1-3H3,(H,17,18)
InChIKeyKZJHFANEYSYPBF-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.40
Rot. Bonds3

About 6-methyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carboxylic acid

6-methyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carboxylic acid (PubChem CID 81229099) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 6-methyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carboxylic acid
PubChem CID81229099
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name6-methyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carboxylic acid
SMILESCc1cc(-n2ccc(C(C)C)n2)c(C(=O)O)cn1
InChIInChI=1S/C13H15N3O2/c1-8(2)11-4-5-16(15-11)12-6-9(3)14-7-10(12)13(17)18/h4-8H,1-3H3,(H,17,18)
InChIKeyKZJHFANEYSYPBF-UHFFFAOYSA-N
XLogP2.40
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-propan-2-ylpyrazol-1-yl)pyridazine-4-carboxylic acid
CID 80517428
6-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 81232217
6-methyl-4-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 81233197
2-methyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine
CID 118593098
6-methyl-4-(4-propan-2-ylazepan-1-yl)pyridine-3-carboxylic acid
CID 81243834
1-[3-fluoro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]ethanone
CID 62488830
4-methyl-2-(3-methylpyrazol-1-yl)benzoic acid
CID 62702386
3-methyl-5-(3-propan-2-ylpyrazol-1-yl)pyridazine
CID 118520435
6-methyl-4-piperazin-1-ylpyridine-3-carboxylic acid
CID 81232904
4-(2-cyanopyrrol-1-yl)-6-methylpyridine-3-carboxylic acid
CID 114650578
4,6-dimethylpyridine-3-carboxylic acid
CID 817290
6-methyl-4-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 81233113

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carboxylic acid (CID 81229099) is 6-methyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carboxylic acid is Cc1cc(-n2ccc(C(C)C)n2)c(C(=O)O)cn1.
What is the InChIKey of 6-methyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carboxylic acid?
The InChIKey is KZJHFANEYSYPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8(2)11-4-5-16(15-11)12-6-9(3)14-7-10(12)13(17)18/h4-8H,1-3H3,(H,17,18).
What are the key properties of 6-methyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carboxylic acid?
6-methyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 81229099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).