5-(3-bromo-3-cyclopropylpropyl)-1-ethylpyrazole

C11H17BrN2 — CID 64506978

IUPAC5-(3-bromo-3-cyclopropylpropyl)-1-ethylpyrazole
SMILESCCn1nccc1CCC(Br)C1CC1
InChIInChI=1S/C11H17BrN2/c1-2-14-10(7-8-13-14)5-6-11(12)9-3-4-9/h7-9,11H,2-6H2,1H3
InChIKeyHXQCMSJUWYDXQU-UHFFFAOYSA-N
MW257.17 g/mol
LogP3.01
Rot. Bonds5

About 5-(3-bromo-3-cyclopropylpropyl)-1-ethylpyrazole

5-(3-bromo-3-cyclopropylpropyl)-1-ethylpyrazole (PubChem CID 64506978) has the molecular formula C11H17BrN2 and a molecular weight of 257.17 g/mol. Its IUPAC name is 5-(3-bromo-3-cyclopropylpropyl)-1-ethylpyrazole.

Molecular Properties

Compound Name5-(3-bromo-3-cyclopropylpropyl)-1-ethylpyrazole
PubChem CID64506978
Molecular FormulaC11H17BrN2
Molecular Weight257.17 g/mol
Exact Mass256.06
IUPAC Name5-(3-bromo-3-cyclopropylpropyl)-1-ethylpyrazole
SMILESCCn1nccc1CCC(Br)C1CC1
InChIInChI=1S/C11H17BrN2/c1-2-14-10(7-8-13-14)5-6-11(12)9-3-4-9/h7-9,11H,2-6H2,1H3
InChIKeyHXQCMSJUWYDXQU-UHFFFAOYSA-N
XLogP3.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2,2-dicyclopropylethyl)-1-ethylpyrazole
CID 175896665
3-cyclopropyl-3-[(2-ethylpyrazol-3-yl)methylamino]propan-1-ol
CID 115762505
5-(2-chloroethyl)-1-ethylpyrazole
CID 63974716
3-(2-ethylpyrazol-3-yl)-1-phenylpropan-1-amine
CID 64503724
1-ethyl-5-[(3-methylazetidin-1-yl)methyl]pyrazole
CID 130719022
(1R)-1-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 104939445
1-[1-[(2-ethylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine
CID 113499860
(1S)-1-cycloheptyl-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 104587715
1-cyclopropyl-N-[(2-ethylpyrazol-3-yl)methyl]methanamine
CID 115761680
1-cyclopropyl-2-(2-ethylpyrazol-3-yl)ethane-1,2-diol
CID 103456908
(2-ethylpyrazol-3-yl)methylazanium
CID 7176049
2-cyclopropyl-1-(2-ethylpyrazol-3-yl)-2-methoxy-N-methylethanamine
CID 116722271

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-3-cyclopropylpropyl)-1-ethylpyrazole?
The IUPAC name of 5-(3-bromo-3-cyclopropylpropyl)-1-ethylpyrazole (CID 64506978) is 5-(3-bromo-3-cyclopropylpropyl)-1-ethylpyrazole.
What is the SMILES notation for 5-(3-bromo-3-cyclopropylpropyl)-1-ethylpyrazole?
The canonical SMILES for 5-(3-bromo-3-cyclopropylpropyl)-1-ethylpyrazole is CCn1nccc1CCC(Br)C1CC1.
What is the InChIKey of 5-(3-bromo-3-cyclopropylpropyl)-1-ethylpyrazole?
The InChIKey is HXQCMSJUWYDXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-2-14-10(7-8-13-14)5-6-11(12)9-3-4-9/h7-9,11H,2-6H2,1H3.
What are the key properties of 5-(3-bromo-3-cyclopropylpropyl)-1-ethylpyrazole?
5-(3-bromo-3-cyclopropylpropyl)-1-ethylpyrazole has a molecular weight of 257.17 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-3-cyclopropylpropyl)-1-ethylpyrazole is sourced from PubChem (CID 64506978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).