5-(3-bromopropyl)-1-propylpyrazole

C9H15BrN2 — CID 64506458

IUPAC5-(3-bromopropyl)-1-propylpyrazole
SMILESCCCn1nccc1CCCBr
InChIInChI=1S/C9H15BrN2/c1-2-8-12-9(4-3-6-10)5-7-11-12/h5,7H,2-4,6,8H2,1H3
InChIKeyYFFVXVDYJXTJTM-UHFFFAOYSA-N
MW231.14 g/mol
LogP2.62
Rot. Bonds5

About 5-(3-bromopropyl)-1-propylpyrazole

5-(3-bromopropyl)-1-propylpyrazole (PubChem CID 64506458) has the molecular formula C9H15BrN2 and a molecular weight of 231.14 g/mol. Its IUPAC name is 5-(3-bromopropyl)-1-propylpyrazole.

Molecular Properties

Compound Name5-(3-bromopropyl)-1-propylpyrazole
PubChem CID64506458
Molecular FormulaC9H15BrN2
Molecular Weight231.14 g/mol
Exact Mass230.04
IUPAC Name5-(3-bromopropyl)-1-propylpyrazole
SMILESCCCn1nccc1CCCBr
InChIInChI=1S/C9H15BrN2/c1-2-8-12-9(4-3-6-10)5-7-11-12/h5,7H,2-4,6,8H2,1H3
InChIKeyYFFVXVDYJXTJTM-UHFFFAOYSA-N
XLogP2.62
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.14
LogP ≤ 52.62
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

1-butyl-5-ethylpyrazole
CID 23006159
N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine
CID 114556004
1-(2-ethylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625523
(2-propylpyrazol-3-yl)methanesulfonamide
CID 114557239
3-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol
CID 114554889
N-[[2-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine
CID 122166952
1-bromo-7-(2-methylpyrazol-3-yl)heptan-4-one
CID 106798885
2-[propyl-[(2-propylpyrazol-3-yl)methyl]amino]acetic acid
CID 114557965
5-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
CID 107316767
4-methylsulfanyl-N-[(2-propylpyrazol-3-yl)methyl]butan-1-amine
CID 114556165
3-bromo-N-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 103015326
N'-methyl-N'-[(2-propylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 114556320

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromopropyl)-1-propylpyrazole?
The IUPAC name of 5-(3-bromopropyl)-1-propylpyrazole (CID 64506458) is 5-(3-bromopropyl)-1-propylpyrazole.
What is the SMILES notation for 5-(3-bromopropyl)-1-propylpyrazole?
The canonical SMILES for 5-(3-bromopropyl)-1-propylpyrazole is CCCn1nccc1CCCBr.
What is the InChIKey of 5-(3-bromopropyl)-1-propylpyrazole?
The InChIKey is YFFVXVDYJXTJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2/c1-2-8-12-9(4-3-6-10)5-7-11-12/h5,7H,2-4,6,8H2,1H3.
What are the key properties of 5-(3-bromopropyl)-1-propylpyrazole?
5-(3-bromopropyl)-1-propylpyrazole has a molecular weight of 231.14 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromopropyl)-1-propylpyrazole is sourced from PubChem (CID 64506458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).