4-(3-bromopentyl)-1-propylpyrazole

C11H19BrN2 — CID 64508753

IUPAC4-(3-bromopentyl)-1-propylpyrazole
SMILESCCCn1cc(CCC(Br)CC)cn1
InChIInChI=1S/C11H19BrN2/c1-3-7-14-9-10(8-13-14)5-6-11(12)4-2/h8-9,11H,3-7H2,1-2H3
InChIKeyOWCHAGOIFMSAOH-UHFFFAOYSA-N
MW259.19 g/mol
LogP3.40
Rot. Bonds6

About 4-(3-bromopentyl)-1-propylpyrazole

4-(3-bromopentyl)-1-propylpyrazole (PubChem CID 64508753) has the molecular formula C11H19BrN2 and a molecular weight of 259.19 g/mol. Its IUPAC name is 4-(3-bromopentyl)-1-propylpyrazole.

Molecular Properties

Compound Name4-(3-bromopentyl)-1-propylpyrazole
PubChem CID64508753
Molecular FormulaC11H19BrN2
Molecular Weight259.19 g/mol
Exact Mass258.07
IUPAC Name4-(3-bromopentyl)-1-propylpyrazole
SMILESCCCn1cc(CCC(Br)CC)cn1
InChIInChI=1S/C11H19BrN2/c1-3-7-14-9-10(8-13-14)5-6-11(12)4-2/h8-9,11H,3-7H2,1-2H3
InChIKeyOWCHAGOIFMSAOH-UHFFFAOYSA-N
XLogP3.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 53.40
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-(3-chloro-3-cyclopropylpropyl)-1-propylpyrazole
CID 64508215
(1-propylpyrazol-4-yl)methanethiol
CID 103573669
1-[(1-propylpyrazol-4-yl)methylamino]pentan-3-ol
CID 115703165
1,4-dipentylpyrazole
CID 70562897
2-methyl-N-[(1-propylpyrazol-4-yl)methyl]pentan-3-amine
CID 115632221
3-methyl-N-[(1-propylpyrazol-4-yl)methyl]pentan-3-amine
CID 115632424
4-butan-2-yl-1-propylpyrazole
CID 130194925
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
N-ethyl-1-(1-ethylpyrazol-4-yl)pentan-3-amine
CID 62126755
3-(4-methylphenyl)-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 105080738
1-propyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126965152
(1-propylpyrazol-4-yl)methyl methanesulfonate
CID 103572272

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromopentyl)-1-propylpyrazole?
The IUPAC name of 4-(3-bromopentyl)-1-propylpyrazole (CID 64508753) is 4-(3-bromopentyl)-1-propylpyrazole.
What is the SMILES notation for 4-(3-bromopentyl)-1-propylpyrazole?
The canonical SMILES for 4-(3-bromopentyl)-1-propylpyrazole is CCCn1cc(CCC(Br)CC)cn1.
What is the InChIKey of 4-(3-bromopentyl)-1-propylpyrazole?
The InChIKey is OWCHAGOIFMSAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2/c1-3-7-14-9-10(8-13-14)5-6-11(12)4-2/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 4-(3-bromopentyl)-1-propylpyrazole?
4-(3-bromopentyl)-1-propylpyrazole has a molecular weight of 259.19 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromopentyl)-1-propylpyrazole is sourced from PubChem (CID 64508753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).