[1-(3-methoxycyclohexyl)pyrazol-4-yl]boronic acid

C10H17BN2O3 — CID 164660683

IUPAC[1-(3-methoxycyclohexyl)pyrazol-4-yl]boronic acid
SMILESCOC1CCCC(n2cc(B(O)O)cn2)C1
InChIInChI=1S/C10H17BN2O3/c1-16-10-4-2-3-9(5-10)13-7-8(6-12-13)11(14)15/h6-7,9-10,14-15H,2-5H2,1H3
InChIKeyIWTLRRRFUWLHKV-UHFFFAOYSA-N
MW224.07 g/mol
LogP-0.31
Rot. Bonds3

About [1-(3-methoxycyclohexyl)pyrazol-4-yl]boronic acid

[1-(3-methoxycyclohexyl)pyrazol-4-yl]boronic acid (PubChem CID 164660683) has the molecular formula C10H17BN2O3 and a molecular weight of 224.07 g/mol. Its IUPAC name is [1-(3-methoxycyclohexyl)pyrazol-4-yl]boronic acid.

Molecular Properties

Compound Name[1-(3-methoxycyclohexyl)pyrazol-4-yl]boronic acid
PubChem CID164660683
Molecular FormulaC10H17BN2O3
Molecular Weight224.07 g/mol
Exact Mass224.13
IUPAC Name[1-(3-methoxycyclohexyl)pyrazol-4-yl]boronic acid
SMILESCOC1CCCC(n2cc(B(O)O)cn2)C1
InChIInChI=1S/C10H17BN2O3/c1-16-10-4-2-3-9(5-10)13-7-8(6-12-13)11(14)15/h6-7,9-10,14-15H,2-5H2,1H3
InChIKeyIWTLRRRFUWLHKV-UHFFFAOYSA-N
XLogP-0.31
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.07
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxycyclohexyl)triazol-4-amine
CID 79542192
1-(3-methoxycyclopentyl)pyrazol-4-amine
CID 118365537
N-[[1-(3-methoxycyclohexyl)triazol-4-yl]methyl]ethanamine
CID 66193890
4-(1-chloroethyl)-1-(3-methoxycyclohexyl)triazole
CID 81450006
1-(3-methoxycyclohexyl)-4-methylpyrazol-5-amine
CID 106872076
2-[1-(3-methoxycyclohexyl)triazol-4-yl]ethanamine
CID 116641788
[1-(5,8-dioxaspiro[3.4]octan-2-yl)pyrazol-4-yl]boronic acid
CID 130053665
1-[1-(3-methoxycyclohexyl)triazol-4-yl]-2-methylpropan-1-amine
CID 114202271
1-cyclobutyl-4-methylpyrazole
CID 59225391
1-cyclobutyl-4-methylpyrazole;ethane;methanol
CID 162747933
(1-methylpyrazol-4-yl)boronic acid;hydrochloride
CID 45158882
1-(3-methoxycyclohexyl)-3-nitropyrazole-4-sulfonyl chloride
CID 115371429

Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxycyclohexyl)pyrazol-4-yl]boronic acid?
The IUPAC name of [1-(3-methoxycyclohexyl)pyrazol-4-yl]boronic acid (CID 164660683) is [1-(3-methoxycyclohexyl)pyrazol-4-yl]boronic acid.
What is the SMILES notation for [1-(3-methoxycyclohexyl)pyrazol-4-yl]boronic acid?
The canonical SMILES for [1-(3-methoxycyclohexyl)pyrazol-4-yl]boronic acid is COC1CCCC(n2cc(B(O)O)cn2)C1.
What is the InChIKey of [1-(3-methoxycyclohexyl)pyrazol-4-yl]boronic acid?
The InChIKey is IWTLRRRFUWLHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BN2O3/c1-16-10-4-2-3-9(5-10)13-7-8(6-12-13)11(14)15/h6-7,9-10,14-15H,2-5H2,1H3.
What are the key properties of [1-(3-methoxycyclohexyl)pyrazol-4-yl]boronic acid?
[1-(3-methoxycyclohexyl)pyrazol-4-yl]boronic acid has a molecular weight of 224.07 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxycyclohexyl)pyrazol-4-yl]boronic acid is sourced from PubChem (CID 164660683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).