5-(3-bromo-3-cyclopentylpropyl)-4-chloro-1,3-diethylpyrazole

C15H24BrClN2 — CID 113390424

IUPAC5-(3-bromo-3-cyclopentylpropyl)-4-chloro-1,3-diethylpyrazole
SMILESCCc1nn(CC)c(CCC(Br)C2CCCC2)c1Cl
InChIInChI=1S/C15H24BrClN2/c1-3-13-15(17)14(19(4-2)18-13)10-9-12(16)11-7-5-6-8-11/h11-12H,3-10H2,1-2H3
InChIKeyOUBIZQGACQLTRV-UHFFFAOYSA-N
MW347.73 g/mol
LogP5.01
Rot. Bonds6

About 5-(3-bromo-3-cyclopentylpropyl)-4-chloro-1,3-diethylpyrazole

5-(3-bromo-3-cyclopentylpropyl)-4-chloro-1,3-diethylpyrazole (PubChem CID 113390424) has the molecular formula C15H24BrClN2 and a molecular weight of 347.73 g/mol. Its IUPAC name is 5-(3-bromo-3-cyclopentylpropyl)-4-chloro-1,3-diethylpyrazole.

Molecular Properties

Compound Name5-(3-bromo-3-cyclopentylpropyl)-4-chloro-1,3-diethylpyrazole
PubChem CID113390424
Molecular FormulaC15H24BrClN2
Molecular Weight347.73 g/mol
Exact Mass346.08
IUPAC Name5-(3-bromo-3-cyclopentylpropyl)-4-chloro-1,3-diethylpyrazole
SMILESCCc1nn(CC)c(CCC(Br)C2CCCC2)c1Cl
InChIInChI=1S/C15H24BrClN2/c1-3-13-15(17)14(19(4-2)18-13)10-9-12(16)11-7-5-6-8-11/h11-12H,3-10H2,1-2H3
InChIKeyOUBIZQGACQLTRV-UHFFFAOYSA-N
XLogP5.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.73
LogP ≤ 55.01
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-(3-bromo-2-cyclopentylpropyl)-4-chloro-1,3-diethylpyrazole
CID 112570654
(1R)-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-cycloheptylethanamine
CID 81388662
3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-cyclopentyl-N-ethylpropan-1-amine
CID 115926580
[1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-cyclopentylpropan-2-yl]hydrazine
CID 105318256
1-(7-bicyclo[4.1.0]heptanyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanamine
CID 105001490
2-(2-bromoethyl)-1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]piperidine
CID 80671369
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-piperidin-2-ylethanol
CID 106634560
1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-cyclopropyl-N-propylbutan-2-amine
CID 105001487
N-[[2-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81027132
4-chloro-5-[(3-cyclopentylazetidin-3-yl)methyl]-1,3-diethylpyrazole
CID 115927269
1-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(oxan-2-yl)butan-2-amine
CID 105001371
3-(2-bromoethyl)-1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]piperidine
CID 80691876

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-3-cyclopentylpropyl)-4-chloro-1,3-diethylpyrazole?
The IUPAC name of 5-(3-bromo-3-cyclopentylpropyl)-4-chloro-1,3-diethylpyrazole (CID 113390424) is 5-(3-bromo-3-cyclopentylpropyl)-4-chloro-1,3-diethylpyrazole.
What is the SMILES notation for 5-(3-bromo-3-cyclopentylpropyl)-4-chloro-1,3-diethylpyrazole?
The canonical SMILES for 5-(3-bromo-3-cyclopentylpropyl)-4-chloro-1,3-diethylpyrazole is CCc1nn(CC)c(CCC(Br)C2CCCC2)c1Cl.
What is the InChIKey of 5-(3-bromo-3-cyclopentylpropyl)-4-chloro-1,3-diethylpyrazole?
The InChIKey is OUBIZQGACQLTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrClN2/c1-3-13-15(17)14(19(4-2)18-13)10-9-12(16)11-7-5-6-8-11/h11-12H,3-10H2,1-2H3.
What are the key properties of 5-(3-bromo-3-cyclopentylpropyl)-4-chloro-1,3-diethylpyrazole?
5-(3-bromo-3-cyclopentylpropyl)-4-chloro-1,3-diethylpyrazole has a molecular weight of 347.73 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-3-cyclopentylpropyl)-4-chloro-1,3-diethylpyrazole is sourced from PubChem (CID 113390424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).