1-[2-(1-methylpyrazol-4-yl)ethyl]cyclooctane-1-carboxylic acid

C15H24N2O2 — CID 103017652

IUPAC1-[2-(1-methylpyrazol-4-yl)ethyl]cyclooctane-1-carboxylic acid
SMILESCn1cc(CCC2(C(=O)O)CCCCCCC2)cn1
InChIInChI=1S/C15H24N2O2/c1-17-12-13(11-16-17)7-10-15(14(18)19)8-5-3-2-4-6-9-15/h11-12H,2-10H2,1H3,(H,18,19)
InChIKeyMNYPKJSYHGIVLP-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.17
Rot. Bonds4

About 1-[2-(1-methylpyrazol-4-yl)ethyl]cyclooctane-1-carboxylic acid

1-[2-(1-methylpyrazol-4-yl)ethyl]cyclooctane-1-carboxylic acid (PubChem CID 103017652) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[2-(1-methylpyrazol-4-yl)ethyl]cyclooctane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1-methylpyrazol-4-yl)ethyl]cyclooctane-1-carboxylic acid
PubChem CID103017652
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[2-(1-methylpyrazol-4-yl)ethyl]cyclooctane-1-carboxylic acid
SMILESCn1cc(CCC2(C(=O)O)CCCCCCC2)cn1
InChIInChI=1S/C15H24N2O2/c1-17-12-13(11-16-17)7-10-15(14(18)19)8-5-3-2-4-6-9-15/h11-12H,2-10H2,1H3,(H,18,19)
InChIKeyMNYPKJSYHGIVLP-UHFFFAOYSA-N
XLogP3.17
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 103017647
1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103005734
1-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 80689093
1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43535047
1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid
CID 114528834
1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentane-1-carboxylic acid
CID 103005051
2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolane-3-carboxylic acid
CID 103005136
N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]ethanamine
CID 103014463
1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43535051
1-(1-aminocyclohexyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 116550574
1-[[(1-methylpyrazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81361803
1-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide
CID 80682990

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpyrazol-4-yl)ethyl]cyclooctane-1-carboxylic acid?
The IUPAC name of 1-[2-(1-methylpyrazol-4-yl)ethyl]cyclooctane-1-carboxylic acid (CID 103017652) is 1-[2-(1-methylpyrazol-4-yl)ethyl]cyclooctane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(1-methylpyrazol-4-yl)ethyl]cyclooctane-1-carboxylic acid?
The canonical SMILES for 1-[2-(1-methylpyrazol-4-yl)ethyl]cyclooctane-1-carboxylic acid is Cn1cc(CCC2(C(=O)O)CCCCCCC2)cn1.
What is the InChIKey of 1-[2-(1-methylpyrazol-4-yl)ethyl]cyclooctane-1-carboxylic acid?
The InChIKey is MNYPKJSYHGIVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-17-12-13(11-16-17)7-10-15(14(18)19)8-5-3-2-4-6-9-15/h11-12H,2-10H2,1H3,(H,18,19).
What are the key properties of 1-[2-(1-methylpyrazol-4-yl)ethyl]cyclooctane-1-carboxylic acid?
1-[2-(1-methylpyrazol-4-yl)ethyl]cyclooctane-1-carboxylic acid has a molecular weight of 264.37 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpyrazol-4-yl)ethyl]cyclooctane-1-carboxylic acid is sourced from PubChem (CID 103017652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).