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

C11H16N2O2 — CID 22227966

IUPAC1-cyclohexyl-5-methylpyrazole-4-carboxylic acid
SMILESCc1c(C(=O)O)cnn1C1CCCCC1
InChIInChI=1S/C11H16N2O2/c1-8-10(11(14)15)7-12-13(8)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,14,15)
InChIKeyMPMCAMAUMJWUKS-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.39
Rot. Bonds2

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

1-cyclohexyl-5-methylpyrazole-4-carboxylic acid (PubChem CID 22227966) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-cyclohexyl-5-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexyl-5-methylpyrazole-4-carboxylic acid
PubChem CID22227966
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-cyclohexyl-5-methylpyrazole-4-carboxylic acid
SMILESCc1c(C(=O)O)cnn1C1CCCCC1
InChIInChI=1S/C11H16N2O2/c1-8-10(11(14)15)7-12-13(8)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,14,15)
InChIKeyMPMCAMAUMJWUKS-UHFFFAOYSA-N
XLogP2.39
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-methylpyrazole-4-carboxylic acid?
The IUPAC name of 1-cyclohexyl-5-methylpyrazole-4-carboxylic acid (CID 22227966) is 1-cyclohexyl-5-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-cyclohexyl-5-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-cyclohexyl-5-methylpyrazole-4-carboxylic acid is Cc1c(C(=O)O)cnn1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-5-methylpyrazole-4-carboxylic acid?
The InChIKey is MPMCAMAUMJWUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-10(11(14)15)7-12-13(8)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,14,15).
What are the key properties of 1-cyclohexyl-5-methylpyrazole-4-carboxylic acid?
1-cyclohexyl-5-methylpyrazole-4-carboxylic acid has a molecular weight of 208.26 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 22227966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).