4-bromo-5-(4-chloropentan-2-yl)-1-propylpyrazole

C11H18BrClN2 — CID 114665550

IUPAC4-bromo-5-(4-chloropentan-2-yl)-1-propylpyrazole
SMILESCCCn1ncc(Br)c1C(C)CC(C)Cl
InChIInChI=1S/C11H18BrClN2/c1-4-5-15-11(10(12)7-14-15)8(2)6-9(3)13/h7-9H,4-6H2,1-3H3
InChIKeyUCZQTNUOMXYHNL-UHFFFAOYSA-N
MW293.64 g/mol
LogP4.18
Rot. Bonds5

About 4-bromo-5-(4-chloropentan-2-yl)-1-propylpyrazole

4-bromo-5-(4-chloropentan-2-yl)-1-propylpyrazole (PubChem CID 114665550) has the molecular formula C11H18BrClN2 and a molecular weight of 293.64 g/mol. Its IUPAC name is 4-bromo-5-(4-chloropentan-2-yl)-1-propylpyrazole.

Molecular Properties

Compound Name4-bromo-5-(4-chloropentan-2-yl)-1-propylpyrazole
PubChem CID114665550
Molecular FormulaC11H18BrClN2
Molecular Weight293.64 g/mol
Exact Mass292.03
IUPAC Name4-bromo-5-(4-chloropentan-2-yl)-1-propylpyrazole
SMILESCCCn1ncc(Br)c1C(C)CC(C)Cl
InChIInChI=1S/C11H18BrClN2/c1-4-5-15-11(10(12)7-14-15)8(2)6-9(3)13/h7-9H,4-6H2,1-3H3
InChIKeyUCZQTNUOMXYHNL-UHFFFAOYSA-N
XLogP4.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.64
LogP ≤ 54.18
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

4-(4-bromo-1-propylpyrazol-5-yl)pentan-2-amine
CID 114664574
N-[1-(4-bromo-1-propylpyrazol-5-yl)ethyl]propan-1-amine
CID 114647831
[1-(4-bromo-1-propylpyrazol-5-yl)-2-methylpropyl]hydrazine
CID 105199703
1-(4-bromo-1-propylpyrazol-5-yl)-2-(2-methylpropylsulfanyl)ethanol
CID 114643865
1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-ol
CID 114635613
1-(4-bromo-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine
CID 114651699
3-(4-bromo-1-propylpyrazol-5-yl)-3-fluoropropan-1-amine
CID 114667939
1-(4-bromo-1-propylpyrazol-5-yl)hexan-1-ol
CID 114635714
(1S)-1-(4-bromo-1-propylpyrazol-5-yl)-2,2,2-trifluoroethanol
CID 104940519
5-(4-chloropentan-2-yl)-1-propyltriazole
CID 114690638
1-(4-bromo-1-propylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 105041187
3-(4-bromo-1-propylpyrazol-5-yl)-2-methyl-N-propylbutan-1-amine
CID 114666827

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(4-chloropentan-2-yl)-1-propylpyrazole?
The IUPAC name of 4-bromo-5-(4-chloropentan-2-yl)-1-propylpyrazole (CID 114665550) is 4-bromo-5-(4-chloropentan-2-yl)-1-propylpyrazole.
What is the SMILES notation for 4-bromo-5-(4-chloropentan-2-yl)-1-propylpyrazole?
The canonical SMILES for 4-bromo-5-(4-chloropentan-2-yl)-1-propylpyrazole is CCCn1ncc(Br)c1C(C)CC(C)Cl.
What is the InChIKey of 4-bromo-5-(4-chloropentan-2-yl)-1-propylpyrazole?
The InChIKey is UCZQTNUOMXYHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrClN2/c1-4-5-15-11(10(12)7-14-15)8(2)6-9(3)13/h7-9H,4-6H2,1-3H3.
What are the key properties of 4-bromo-5-(4-chloropentan-2-yl)-1-propylpyrazole?
4-bromo-5-(4-chloropentan-2-yl)-1-propylpyrazole has a molecular weight of 293.64 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(4-chloropentan-2-yl)-1-propylpyrazole is sourced from PubChem (CID 114665550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).