1-ethyl-5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)pyrazole

C10H17BN2O2 — CID 70292940

IUPAC1-ethyl-5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)pyrazole
SMILESCCn1nccc1B1OC(C)C(C)(C)O1
InChIInChI=1S/C10H17BN2O2/c1-5-13-9(6-7-12-13)11-14-8(2)10(3,4)15-11/h6-8H,5H2,1-4H3
InChIKeyAWNHCNDZIJGWEY-UHFFFAOYSA-N
MW208.07 g/mol
LogP0.81
Rot. Bonds2

About 1-ethyl-5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)pyrazole

1-ethyl-5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 70292940) has the molecular formula C10H17BN2O2 and a molecular weight of 208.07 g/mol. Its IUPAC name is 1-ethyl-5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

Molecular Properties

Compound Name1-ethyl-5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)pyrazole
PubChem CID70292940
Molecular FormulaC10H17BN2O2
Molecular Weight208.07 g/mol
Exact Mass208.14
IUPAC Name1-ethyl-5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)pyrazole
SMILESCCn1nccc1B1OC(C)C(C)(C)O1
InChIInChI=1S/C10H17BN2O2/c1-5-13-9(6-7-12-13)11-14-8(2)10(3,4)15-11/h6-8H,5H2,1-4H3
InChIKeyAWNHCNDZIJGWEY-UHFFFAOYSA-N
XLogP0.81
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.07
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine
CID 151601197
3-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 123962210
N-methyl-3-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 145069362
(2-ethylpyrazol-3-yl)-(4-methylpiperidin-4-yl)methanone
CID 116567524
(2,2-dimethylcyclopropyl)-(2-ethylpyrazol-3-yl)methanamine
CID 107004449
(2-ethylpyrazol-3-yl)-(1-methylcyclopentyl)methanone
CID 114972401
(2-ethylpyrazol-3-yl)methylazanium
CID 7176049
1-ethyl-5-[(3-methylazetidin-1-yl)methyl]pyrazole
CID 130719022
2-ethylpyrazole-3-carbaldehyde
CID 7009534
N,N-dihexyl-2-(trifluoromethyl)-4-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 140847357
5-(3-chloro-2-methylcyclopentyl)-1-propylpyrazole
CID 64909028
3-(2-ethylpyrazol-3-yl)-2-methylcyclopentan-1-ol
CID 64908798

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
The IUPAC name of 1-ethyl-5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 70292940) is 1-ethyl-5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)pyrazole.
What is the SMILES notation for 1-ethyl-5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
The canonical SMILES for 1-ethyl-5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)pyrazole is CCn1nccc1B1OC(C)C(C)(C)O1.
What is the InChIKey of 1-ethyl-5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
The InChIKey is AWNHCNDZIJGWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BN2O2/c1-5-13-9(6-7-12-13)11-14-8(2)10(3,4)15-11/h6-8H,5H2,1-4H3.
What are the key properties of 1-ethyl-5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
1-ethyl-5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 208.07 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 70292940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).