1-(4-methylcyclohexyl)pyrazole-3-carboxylic acid

C11H16N2O2 — CID 64748929

IUPAC1-(4-methylcyclohexyl)pyrazole-3-carboxylic acid
SMILESCC1CCC(n2ccc(C(=O)O)n2)CC1
InChIInChI=1S/C11H16N2O2/c1-8-2-4-9(5-3-8)13-7-6-10(12-13)11(14)15/h6-9H,2-5H2,1H3,(H,14,15)
InChIKeyJXAGGQCROFHYKZ-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.33
Rot. Bonds2

About 1-(4-methylcyclohexyl)pyrazole-3-carboxylic acid

1-(4-methylcyclohexyl)pyrazole-3-carboxylic acid (PubChem CID 64748929) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)pyrazole-3-carboxylic acid
PubChem CID64748929
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(4-methylcyclohexyl)pyrazole-3-carboxylic acid
SMILESCC1CCC(n2ccc(C(=O)O)n2)CC1
InChIInChI=1S/C11H16N2O2/c1-8-2-4-9(5-3-8)13-7-6-10(12-13)11(14)15/h6-9H,2-5H2,1H3,(H,14,15)
InChIKeyJXAGGQCROFHYKZ-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(4-methylcyclohexyl)pyrazole-3-carboxylic acid (CID 64748929) is 1-(4-methylcyclohexyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(4-methylcyclohexyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(4-methylcyclohexyl)pyrazole-3-carboxylic acid is CC1CCC(n2ccc(C(=O)O)n2)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)pyrazole-3-carboxylic acid?
The InChIKey is JXAGGQCROFHYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-2-4-9(5-3-8)13-7-6-10(12-13)11(14)15/h6-9H,2-5H2,1H3,(H,14,15).
What are the key properties of 1-(4-methylcyclohexyl)pyrazole-3-carboxylic acid?
1-(4-methylcyclohexyl)pyrazole-3-carboxylic acid has a molecular weight of 208.26 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 64748929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).