5-[3-(bromomethyl)-3-methylpent-4-enyl]-1-methylpyrazole

C11H17BrN2 — CID 103018712

IUPAC5-[3-(bromomethyl)-3-methylpent-4-enyl]-1-methylpyrazole
SMILESC=CC(C)(CBr)CCc1ccnn1C
InChIInChI=1S/C11H17BrN2/c1-4-11(2,9-12)7-5-10-6-8-13-14(10)3/h4,6,8H,1,5,7,9H2,2-3H3
InChIKeyOGQFRTZYJPFFDP-UHFFFAOYSA-N
MW257.17 g/mol
LogP2.94
Rot. Bonds5

About 5-[3-(bromomethyl)-3-methylpent-4-enyl]-1-methylpyrazole

5-[3-(bromomethyl)-3-methylpent-4-enyl]-1-methylpyrazole (PubChem CID 103018712) has the molecular formula C11H17BrN2 and a molecular weight of 257.17 g/mol. Its IUPAC name is 5-[3-(bromomethyl)-3-methylpent-4-enyl]-1-methylpyrazole.

Molecular Properties

Compound Name5-[3-(bromomethyl)-3-methylpent-4-enyl]-1-methylpyrazole
PubChem CID103018712
Molecular FormulaC11H17BrN2
Molecular Weight257.17 g/mol
Exact Mass256.06
IUPAC Name5-[3-(bromomethyl)-3-methylpent-4-enyl]-1-methylpyrazole
SMILESC=CC(C)(CBr)CCc1ccnn1C
InChIInChI=1S/C11H17BrN2/c1-4-11(2,9-12)7-5-10-6-8-13-14(10)3/h4,6,8H,1,5,7,9H2,2-3H3
InChIKeyOGQFRTZYJPFFDP-UHFFFAOYSA-N
XLogP2.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-4-(2-methylpyrazol-3-yl)butanenitrile
CID 103017223
5-[3-(bromomethyl)-3-ethylheptyl]-1-methylpyrazole
CID 103018409
5-[4-bromo-3-(bromomethyl)-3-(4-fluorophenyl)butyl]-1-methylpyrazole
CID 103019072
5-(bromomethyl)-1-methylpyrazole
CID 59589503
5-[3-(chloromethyl)-3-methylpentyl]-1-methylpyrazole
CID 103018236
1-methoxy-2-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103007080
4,4-dimethyl-6-(2-methylpyrazol-3-yl)hexan-2-ol
CID 103016020
2-(2-bromophenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103005777
5-[4-bromo-3-(bromomethyl)butyl]-1-methylpyrazole
CID 103019011
3-(aminomethyl)-3-methyl-5-(2-methylpyrazol-3-yl)pentan-2-ol
CID 103017437
5-[3,3-bis(chloromethyl)pentyl]-1-methylpyrazole
CID 103018946
5-[3-(4-bromophenyl)-4-chloro-3-(chloromethyl)butyl]-1-methylpyrazole
CID 103018999

Frequently Asked Questions

What is the IUPAC name of 5-[3-(bromomethyl)-3-methylpent-4-enyl]-1-methylpyrazole?
The IUPAC name of 5-[3-(bromomethyl)-3-methylpent-4-enyl]-1-methylpyrazole (CID 103018712) is 5-[3-(bromomethyl)-3-methylpent-4-enyl]-1-methylpyrazole.
What is the SMILES notation for 5-[3-(bromomethyl)-3-methylpent-4-enyl]-1-methylpyrazole?
The canonical SMILES for 5-[3-(bromomethyl)-3-methylpent-4-enyl]-1-methylpyrazole is C=CC(C)(CBr)CCc1ccnn1C.
What is the InChIKey of 5-[3-(bromomethyl)-3-methylpent-4-enyl]-1-methylpyrazole?
The InChIKey is OGQFRTZYJPFFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-4-11(2,9-12)7-5-10-6-8-13-14(10)3/h4,6,8H,1,5,7,9H2,2-3H3.
What are the key properties of 5-[3-(bromomethyl)-3-methylpent-4-enyl]-1-methylpyrazole?
5-[3-(bromomethyl)-3-methylpent-4-enyl]-1-methylpyrazole has a molecular weight of 257.17 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(bromomethyl)-3-methylpent-4-enyl]-1-methylpyrazole is sourced from PubChem (CID 103018712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).