4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxylic acid

C14H22N2O2 — CID 103019597

IUPAC4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)C(CCc2ccnn2C)C1
InChIInChI=1S/C14H22N2O2/c1-10-3-6-13(14(17)18)11(9-10)4-5-12-7-8-15-16(12)2/h7-8,10-11,13H,3-6,9H2,1-2H3,(H,17,18)
InChIKeyGEZBRZDXDLWMLW-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.49
Rot. Bonds4

About 4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxylic acid

4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxylic acid (PubChem CID 103019597) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxylic acid
PubChem CID103019597
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)C(CCc2ccnn2C)C1
InChIInChI=1S/C14H22N2O2/c1-10-3-6-13(14(17)18)11(9-10)4-5-12-7-8-15-16(12)2/h7-8,10-11,13H,3-6,9H2,1-2H3,(H,17,18)
InChIKeyGEZBRZDXDLWMLW-UHFFFAOYSA-N
XLogP2.49
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 104693313
4-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114390996
2-methyl-1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 106744621
2-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 79383563
3-hydroxy-3-[2-(2-methylpyrazol-3-yl)ethyl]cyclobutane-1-carboxylic acid
CID 103006588
2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 103009645
6-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104693312
N-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 103004400
[4-tert-butyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexyl]methanamine
CID 103019741
trans-(1R,2R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 86286952
4-[2-(2-methylpyrazol-3-yl)ethyl]thiolan-3-amine
CID 103004598
3-(2-methylpyrazol-3-yl)-1-(2-methylpyrrolidin-3-yl)propan-1-one
CID 103023936

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxylic acid (CID 103019597) is 4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxylic acid is CC1CCC(C(=O)O)C(CCc2ccnn2C)C1.
What is the InChIKey of 4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxylic acid?
The InChIKey is GEZBRZDXDLWMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-3-6-13(14(17)18)11(9-10)4-5-12-7-8-15-16(12)2/h7-8,10-11,13H,3-6,9H2,1-2H3,(H,17,18).
What are the key properties of 4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxylic acid?
4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxylic acid has a molecular weight of 250.34 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 103019597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).