1-[(1-methylpyrazol-3-yl)methyl]cyclooctane-1-carboxylic acid

C14H22N2O2 — CID 82872075

IUPAC1-[(1-methylpyrazol-3-yl)methyl]cyclooctane-1-carboxylic acid
SMILESCn1ccc(CC2(C(=O)O)CCCCCCC2)n1
InChIInChI=1S/C14H22N2O2/c1-16-10-7-12(15-16)11-14(13(17)18)8-5-3-2-4-6-9-14/h7,10H,2-6,8-9,11H2,1H3,(H,17,18)
InChIKeyMSOQFPXPFXLVTN-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.78
Rot. Bonds3

About 1-[(1-methylpyrazol-3-yl)methyl]cyclooctane-1-carboxylic acid

1-[(1-methylpyrazol-3-yl)methyl]cyclooctane-1-carboxylic acid (PubChem CID 82872075) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-3-yl)methyl]cyclooctane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methylpyrazol-3-yl)methyl]cyclooctane-1-carboxylic acid
PubChem CID82872075
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[(1-methylpyrazol-3-yl)methyl]cyclooctane-1-carboxylic acid
SMILESCn1ccc(CC2(C(=O)O)CCCCCCC2)n1
InChIInChI=1S/C14H22N2O2/c1-16-10-7-12(15-16)11-14(13(17)18)8-5-3-2-4-6-9-14/h7,10H,2-6,8-9,11H2,1H3,(H,17,18)
InChIKeyMSOQFPXPFXLVTN-UHFFFAOYSA-N
XLogP2.78
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 82870688
2-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 82871964
[1-[(1-methylpyrazol-3-yl)methyl]cyclooctyl]methanamine
CID 82870564
1-[(2-methyltriazol-4-yl)methyl]cyclopentane-1-carboxylic acid
CID 130591907
1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropane-1-carboxylic acid
CID 66026844
3-[(1-methylpyrazol-3-yl)methyl]-2,4-dihydrochromene-3-carboxylic acid
CID 82871618
1-[[(1-methylpyrazol-3-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436760
1-[(1-methylpyrrol-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 82286606
1-[1-(dimethylamino)cycloheptyl]-2-(1-methylpyrazol-3-yl)ethanone
CID 82869126
[1-[(1-methylpyrazol-3-yl)methyl]cyclobutyl]methanamine
CID 82871669
[1-[(1-methylpyrazol-3-yl)methylamino]cyclohexyl]methanol
CID 82866192
4-[(1-propan-2-ylpyrazol-3-yl)methyl]oxane-4-carboxylic acid
CID 64773303

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-3-yl)methyl]cyclooctane-1-carboxylic acid?
The IUPAC name of 1-[(1-methylpyrazol-3-yl)methyl]cyclooctane-1-carboxylic acid (CID 82872075) is 1-[(1-methylpyrazol-3-yl)methyl]cyclooctane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-methylpyrazol-3-yl)methyl]cyclooctane-1-carboxylic acid?
The canonical SMILES for 1-[(1-methylpyrazol-3-yl)methyl]cyclooctane-1-carboxylic acid is Cn1ccc(CC2(C(=O)O)CCCCCCC2)n1.
What is the InChIKey of 1-[(1-methylpyrazol-3-yl)methyl]cyclooctane-1-carboxylic acid?
The InChIKey is MSOQFPXPFXLVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-16-10-7-12(15-16)11-14(13(17)18)8-5-3-2-4-6-9-14/h7,10H,2-6,8-9,11H2,1H3,(H,17,18).
What are the key properties of 1-[(1-methylpyrazol-3-yl)methyl]cyclooctane-1-carboxylic acid?
1-[(1-methylpyrazol-3-yl)methyl]cyclooctane-1-carboxylic acid has a molecular weight of 250.34 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-3-yl)methyl]cyclooctane-1-carboxylic acid is sourced from PubChem (CID 82872075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).