5-(1-cyclohexylpyrazol-4-yl)-3-methylpyridine-2-carboxylic acid

C16H19N3O2 — CID 171365297

IUPAC5-(1-cyclohexylpyrazol-4-yl)-3-methylpyridine-2-carboxylic acid
SMILESCc1cc(-c2cnn(C3CCCCC3)c2)cnc1C(=O)O
InChIInChI=1S/C16H19N3O2/c1-11-7-12(8-17-15(11)16(20)21)13-9-18-19(10-13)14-5-3-2-4-6-14/h7-10,14H,2-6H2,1H3,(H,20,21)
InChIKeyBWYKOYFLBCXHNU-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.46
Rot. Bonds3

About 5-(1-cyclohexylpyrazol-4-yl)-3-methylpyridine-2-carboxylic acid

5-(1-cyclohexylpyrazol-4-yl)-3-methylpyridine-2-carboxylic acid (PubChem CID 171365297) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-(1-cyclohexylpyrazol-4-yl)-3-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-cyclohexylpyrazol-4-yl)-3-methylpyridine-2-carboxylic acid
PubChem CID171365297
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name5-(1-cyclohexylpyrazol-4-yl)-3-methylpyridine-2-carboxylic acid
SMILESCc1cc(-c2cnn(C3CCCCC3)c2)cnc1C(=O)O
InChIInChI=1S/C16H19N3O2/c1-11-7-12(8-17-15(11)16(20)21)13-9-18-19(10-13)14-5-3-2-4-6-14/h7-10,14H,2-6H2,1H3,(H,20,21)
InChIKeyBWYKOYFLBCXHNU-UHFFFAOYSA-N
XLogP3.46
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-cyclohexylpyrazol-4-yl)-2,6-dimethylphenol
CID 171921837
4-(1-cyclopentylpyrazol-4-yl)-2-fluoro-6-methylbenzoic acid
CID 171365273
2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxylic acid
CID 67388257
2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxylic acid;hydrochloride
CID 67388256
3-hydroxy-4-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-2-carboxylic acid
CID 175581630
2,6-dimethyl-4-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]benzoic acid
CID 172876934
1-[4-[4-(2-chloropyrimidin-5-yl)pyrazol-1-yl]piperidin-1-yl]ethanone
CID 178082262
2-(1-cyclopropylpyrazol-4-yl)-5-ethylsulfonyl-1-methylimidazole-4-carboxylic acid
CID 162739763
1-cycloheptylpyrazol-4-ol
CID 116799473
tert-butyl 4-[4-(2-methylpyrimidin-5-yl)pyrazol-1-yl]piperidine-1-carboxylate
CID 123325395
3-(1-cyclopentylpyrazol-4-yl)-5-methylbenzonitrile
CID 172989940
2-[4-chloro-3-(1-cyclohexylpyrazol-4-yl)phenyl]acetic acid
CID 170835961

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclohexylpyrazol-4-yl)-3-methylpyridine-2-carboxylic acid?
The IUPAC name of 5-(1-cyclohexylpyrazol-4-yl)-3-methylpyridine-2-carboxylic acid (CID 171365297) is 5-(1-cyclohexylpyrazol-4-yl)-3-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 5-(1-cyclohexylpyrazol-4-yl)-3-methylpyridine-2-carboxylic acid?
The canonical SMILES for 5-(1-cyclohexylpyrazol-4-yl)-3-methylpyridine-2-carboxylic acid is Cc1cc(-c2cnn(C3CCCCC3)c2)cnc1C(=O)O.
What is the InChIKey of 5-(1-cyclohexylpyrazol-4-yl)-3-methylpyridine-2-carboxylic acid?
The InChIKey is BWYKOYFLBCXHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-7-12(8-17-15(11)16(20)21)13-9-18-19(10-13)14-5-3-2-4-6-14/h7-10,14H,2-6H2,1H3,(H,20,21).
What are the key properties of 5-(1-cyclohexylpyrazol-4-yl)-3-methylpyridine-2-carboxylic acid?
5-(1-cyclohexylpyrazol-4-yl)-3-methylpyridine-2-carboxylic acid has a molecular weight of 285.35 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclohexylpyrazol-4-yl)-3-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 171365297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).