5-bromo-4-chloro-1-propylpyrazole

C6H8BrClN2 — CID 164664603

IUPAC5-bromo-4-chloro-1-propylpyrazole
SMILESCCCn1ncc(Cl)c1Br
InChIInChI=1S/C6H8BrClN2/c1-2-3-10-6(7)5(8)4-9-10/h4H,2-3H2,1H3
InChIKeyOVGNEXQPIYEARW-UHFFFAOYSA-N
MW223.50 g/mol
LogP2.71
Rot. Bonds2

About 5-bromo-4-chloro-1-propylpyrazole

5-bromo-4-chloro-1-propylpyrazole (PubChem CID 164664603) has the molecular formula C6H8BrClN2 and a molecular weight of 223.50 g/mol. Its IUPAC name is 5-bromo-4-chloro-1-propylpyrazole.

Molecular Properties

Compound Name5-bromo-4-chloro-1-propylpyrazole
PubChem CID164664603
Molecular FormulaC6H8BrClN2
Molecular Weight223.50 g/mol
Exact Mass221.96
IUPAC Name5-bromo-4-chloro-1-propylpyrazole
SMILESCCCn1ncc(Cl)c1Br
InChIInChI=1S/C6H8BrClN2/c1-2-3-10-6(7)5(8)4-9-10/h4H,2-3H2,1H3
InChIKeyOVGNEXQPIYEARW-UHFFFAOYSA-N
XLogP2.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.50
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-1-propyl-5-(trifluoromethoxy)pyrazole
CID 141420742
5-(4-bromo-2-methylpentan-2-yl)-4-chloro-1-propylpyrazole
CID 114665595
1-(4-chloro-1-propylpyrazol-5-yl)propane-1,2-diol
CID 103452617
1-(4-chloro-1-propylpyrazol-5-yl)butan-1-one
CID 114639264
1-(4-bromophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol
CID 114633467
5-(4-chloro-1-propylpyrazol-5-yl)-1,3-thiazol-2-amine
CID 114663437
(4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114645995
(3-bromo-5-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 107944773
(4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114642895
2-(5-chloro-1-propylpyrazol-4-yl)ethanamine
CID 115017423
5-(3-bromocyclopentyl)-4-chloro-1-propylpyrazole
CID 114665372
1-(4-chloro-1-propylpyrazol-5-yl)pentan-3-one
CID 114663535

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-1-propylpyrazole?
The IUPAC name of 5-bromo-4-chloro-1-propylpyrazole (CID 164664603) is 5-bromo-4-chloro-1-propylpyrazole.
What is the SMILES notation for 5-bromo-4-chloro-1-propylpyrazole?
The canonical SMILES for 5-bromo-4-chloro-1-propylpyrazole is CCCn1ncc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-1-propylpyrazole?
The InChIKey is OVGNEXQPIYEARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrClN2/c1-2-3-10-6(7)5(8)4-9-10/h4H,2-3H2,1H3.
What are the key properties of 5-bromo-4-chloro-1-propylpyrazole?
5-bromo-4-chloro-1-propylpyrazole has a molecular weight of 223.50 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-1-propylpyrazole is sourced from PubChem (CID 164664603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).