2-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid

C15H24N2O2 — CID 81008175

IUPAC2-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid
SMILESCCC(C)n1ccc(CC2CCCCC2C(=O)O)n1
InChIInChI=1S/C15H24N2O2/c1-3-11(2)17-9-8-13(16-17)10-12-6-4-5-7-14(12)15(18)19/h8-9,11-12,14H,3-7,10H2,1-2H3,(H,18,19)
InChIKeyFCJPRUMJDMDWTC-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.29
Rot. Bonds5

About 2-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid

2-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid (PubChem CID 81008175) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid
PubChem CID81008175
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid
SMILESCCC(C)n1ccc(CC2CCCCC2C(=O)O)n1
InChIInChI=1S/C15H24N2O2/c1-3-11(2)17-9-8-13(16-17)10-12-6-4-5-7-14(12)15(18)19/h8-9,11-12,14H,3-7,10H2,1-2H3,(H,18,19)
InChIKeyFCJPRUMJDMDWTC-UHFFFAOYSA-N
XLogP3.29
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 81020642
3-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol
CID 114451905
1-(azepan-2-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethanone
CID 116582497
2-[(1-methyltriazol-4-yl)methyl]cyclohexane-1-carboxylic acid
CID 107058978
2-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidine
CID 64778907
3-[(3-bromocycloheptyl)methyl]-1-butan-2-ylpyrazole
CID 64778953
2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptan-1-ol
CID 64772657
(1S)-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-cyclohexylethanamine
CID 81385024
2-[(1,3-diethylpyrazol-5-yl)methyl]cyclohexane-1-carboxylic acid
CID 81008075
3-[(3-bromocyclohexyl)methyl]-1-butan-2-ylpyrazole
CID 64778951
2-amino-3-(1-butan-2-ylpyrazol-3-yl)propanamide
CID 64991110
2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-N-methylcyclohexane-1,2-diamine
CID 102639889

Frequently Asked Questions

What is the IUPAC name of 2-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid (CID 81008175) is 2-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid is CCC(C)n1ccc(CC2CCCCC2C(=O)O)n1.
What is the InChIKey of 2-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is FCJPRUMJDMDWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-11(2)17-9-8-13(16-17)10-12-6-4-5-7-14(12)15(18)19/h8-9,11-12,14H,3-7,10H2,1-2H3,(H,18,19).
What are the key properties of 2-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid?
2-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 264.37 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 81008175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).