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

C11H16N2O2 — CID 43805624

IUPAC3-cyclohexyl-1-methylpyrazole-4-carboxylic acid
SMILESCn1cc(C(=O)O)c(C2CCCCC2)n1
InChIInChI=1S/C11H16N2O2/c1-13-7-9(11(14)15)10(12-13)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,14,15)
InChIKeyLSVWZGCNANSDGR-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.17
Rot. Bonds2

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

3-cyclohexyl-1-methylpyrazole-4-carboxylic acid (PubChem CID 43805624) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-cyclohexyl-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-cyclohexyl-1-methylpyrazole-4-carboxylic acid
PubChem CID43805624
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-cyclohexyl-1-methylpyrazole-4-carboxylic acid
SMILESCn1cc(C(=O)O)c(C2CCCCC2)n1
InChIInChI=1S/C11H16N2O2/c1-13-7-9(11(14)15)10(12-13)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,14,15)
InChIKeyLSVWZGCNANSDGR-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 3-cyclohexyl-1-methylpyrazole-4-carboxylic acid (CID 43805624) is 3-cyclohexyl-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-cyclohexyl-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-cyclohexyl-1-methylpyrazole-4-carboxylic acid is Cn1cc(C(=O)O)c(C2CCCCC2)n1.
What is the InChIKey of 3-cyclohexyl-1-methylpyrazole-4-carboxylic acid?
The InChIKey is LSVWZGCNANSDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-13-7-9(11(14)15)10(12-13)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,14,15).
What are the key properties of 3-cyclohexyl-1-methylpyrazole-4-carboxylic acid?
3-cyclohexyl-1-methylpyrazole-4-carboxylic acid has a molecular weight of 208.26 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 43805624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).