1-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxylic acid

C11H16N2O2 — CID 82611608

IUPAC1-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxylic acid
SMILESCc1cc(C2(C(=O)O)CCCCC2)n[nH]1
InChIInChI=1S/C11H16N2O2/c1-8-7-9(13-12-8)11(10(14)15)5-3-2-4-6-11/h7H,2-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyBXPQGWCAHTXWQH-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.00
Rot. Bonds2

About 1-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxylic acid

1-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxylic acid (PubChem CID 82611608) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxylic acid
PubChem CID82611608
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxylic acid
SMILESCc1cc(C2(C(=O)O)CCCCC2)n[nH]1
InChIInChI=1S/C11H16N2O2/c1-8-7-9(13-12-8)11(10(14)15)5-3-2-4-6-11/h7H,2-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyBXPQGWCAHTXWQH-UHFFFAOYSA-N
XLogP2.00
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-methylpyrazin-2-yl)cyclohexane-1-carboxylic acid
CID 96608156
1-(1,5-dimethylpyrazol-3-yl)cyclopentane-1-carboxylic acid
CID 82611606
1-(6-methyl-2-pyridinyl)cyclopentane-1-carboxylic acid
CID 96617960
1-(5-chloro-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid
CID 117420844
1-pyrazin-2-ylcyclohexane-1-carboxylic acid
CID 96767473
1-amino-N-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide
CID 63820608
1-(3,4,5-trimethylphenyl)cyclopentane-1-carboxylic acid
CID 117336685
1-(1H-pyrazol-5-yl)cyclohexane-1-carboxylic acid
CID 82605756
1-(2,5-dihydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117378800
1-(2-amino-3,5-dimethylphenyl)cycloheptane-1-carboxylic acid
CID 106702527
1-(4,5-difluoro-2-methylphenyl)cyclohexane-1-carboxylic acid
CID 117388740
1-(5-hydroxy-2H-indazol-3-yl)cyclohexane-1-carboxylic acid
CID 82623856

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxylic acid (CID 82611608) is 1-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxylic acid is Cc1cc(C2(C(=O)O)CCCCC2)n[nH]1.
What is the InChIKey of 1-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxylic acid?
The InChIKey is BXPQGWCAHTXWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-7-9(13-12-8)11(10(14)15)5-3-2-4-6-11/h7H,2-6H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 1-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxylic acid?
1-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxylic acid has a molecular weight of 208.26 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 82611608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).