1-(cyclohexylmethyl)pyrazole-4-carboxylic acid

C11H16N2O2 — CID 43565351

IUPAC1-(cyclohexylmethyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(CC2CCCCC2)c1
InChIInChI=1S/C11H16N2O2/c14-11(15)10-6-12-13(8-10)7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2,(H,14,15)
InChIKeyBUIWTAWFCROXRE-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.16
Rot. Bonds3

About 1-(cyclohexylmethyl)pyrazole-4-carboxylic acid

1-(cyclohexylmethyl)pyrazole-4-carboxylic acid (PubChem CID 43565351) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(cyclohexylmethyl)pyrazole-4-carboxylic acid
PubChem CID43565351
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(cyclohexylmethyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(CC2CCCCC2)c1
InChIInChI=1S/C11H16N2O2/c14-11(15)10-6-12-13(8-10)7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2,(H,14,15)
InChIKeyBUIWTAWFCROXRE-UHFFFAOYSA-N
XLogP2.16
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(cyclohexylmethyl)pyrazole-4-carboxylic acid (CID 43565351) is 1-(cyclohexylmethyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(cyclohexylmethyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(cyclohexylmethyl)pyrazole-4-carboxylic acid is O=C(O)c1cnn(CC2CCCCC2)c1.
What is the InChIKey of 1-(cyclohexylmethyl)pyrazole-4-carboxylic acid?
The InChIKey is BUIWTAWFCROXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c14-11(15)10-6-12-13(8-10)7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2,(H,14,15).
What are the key properties of 1-(cyclohexylmethyl)pyrazole-4-carboxylic acid?
1-(cyclohexylmethyl)pyrazole-4-carboxylic acid has a molecular weight of 208.26 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 43565351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).