5-chloro-1-cyclohexyl-3-methylpyrazole-4-carboxylic acid

C11H15ClN2O2 — CID 55032261

IUPAC5-chloro-1-cyclohexyl-3-methylpyrazole-4-carboxylic acid
SMILESCc1nn(C2CCCCC2)c(Cl)c1C(=O)O
InChIInChI=1S/C11H15ClN2O2/c1-7-9(11(15)16)10(12)14(13-7)8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,15,16)
InChIKeyQWWXCAOBKFEQQT-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.05
Rot. Bonds2

About 5-chloro-1-cyclohexyl-3-methylpyrazole-4-carboxylic acid

5-chloro-1-cyclohexyl-3-methylpyrazole-4-carboxylic acid (PubChem CID 55032261) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 5-chloro-1-cyclohexyl-3-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-1-cyclohexyl-3-methylpyrazole-4-carboxylic acid
PubChem CID55032261
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name5-chloro-1-cyclohexyl-3-methylpyrazole-4-carboxylic acid
SMILESCc1nn(C2CCCCC2)c(Cl)c1C(=O)O
InChIInChI=1S/C11H15ClN2O2/c1-7-9(11(15)16)10(12)14(13-7)8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,15,16)
InChIKeyQWWXCAOBKFEQQT-UHFFFAOYSA-N
XLogP3.05
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-cyclohexyl-3-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-chloro-1-cyclohexyl-3-methylpyrazole-4-carboxylic acid (CID 55032261) is 5-chloro-1-cyclohexyl-3-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-chloro-1-cyclohexyl-3-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-chloro-1-cyclohexyl-3-methylpyrazole-4-carboxylic acid is Cc1nn(C2CCCCC2)c(Cl)c1C(=O)O.
What is the InChIKey of 5-chloro-1-cyclohexyl-3-methylpyrazole-4-carboxylic acid?
The InChIKey is QWWXCAOBKFEQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-7-9(11(15)16)10(12)14(13-7)8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,15,16).
What are the key properties of 5-chloro-1-cyclohexyl-3-methylpyrazole-4-carboxylic acid?
5-chloro-1-cyclohexyl-3-methylpyrazole-4-carboxylic acid has a molecular weight of 242.71 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-cyclohexyl-3-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 55032261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).